Geometry & MOs

Info

ID:

441769

PubChem CID:

135244042

Reduced:

NC13H15 (2)

Stoich.:

AB13C15 (2)

Weight, g/mol:

499.319878

ΔHf, kcal/mol:

55.17

Dipole, Da:

2.07

IP(EA), eV:

 -8.13(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S)-15-ethenyl-14-[(E)-2-hydroxyprop-1-enyl]-11-[[(3R)-pyrrolidin-3-yl]methyl]-5,11-diazapentacyclo[8.3.3.13,9.01,9.02,6]heptadec-14-en-5-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CCC(C)C1=C(C=C(C=C1)C(=NC)C2=CC=CC=C2NC)C3=CC=CC=C3C

DOS

IR

Vibrations