Geometry & MOs

Info

ID:	187902
PubChem CID:	77641432
Reduced:	O2N5C27H29 (1)
Stoich.:	A2B5C27D29 (1)
Weight, g/mol:	318.138658
ΔH_f, kcal/mol:	-1.29
Dipole, Da:	7.02
IP(EA), eV:	-8.6(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-chloro-8-hydroxy-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-one

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)C2=CC=C(C=C2)CNC(=O)C(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

DOS

IR

Vibrations