Geometry & MOs

Info

ID:

162035

PubChem CID:

57393407

Reduced:

N2O3C24H31 (2)

Stoich.:

A2B3C24D31 (2)

Weight, g/mol:

234.16198

ΔHf, kcal/mol:

-219.06

Dipole, Da:

7.03

IP(EA), eV:

 -8.55(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,6S,8aR)-6-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-4a,5,7,8-tetrahydro-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN(C)C(=O)CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC3=CC=CC=C3)N)O)/C4=CC=CC=C4

DOS

IR

Vibrations