Geometry & MOs

Info

ID:

151555

PubChem CID:

53837788

Reduced:

ClO3C18H21 (2)

Stoich.:

AB3C18D21 (2)

Weight, g/mol:

608.336256

ΔHf, kcal/mol:

-218.25

Dipole, Da:

5.47

IP(EA), eV:

 -8.6(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-1-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxy-N-[1-[4-(2-methylphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)COC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCCCCC=C)Cl)Cl

DOS

IR

Vibrations