Geometry & MOs

Info

ID:	185714
PubChem CID:	77336551
Reduced:	ON2H13C16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	310.229666
ΔH_f, kcal/mol:	89.58
Dipole, Da:	2.26
IP(EA), eV:	-8.32(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-ethylidene-3-methoxy-13,15-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC2=NC3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)N=C(N5)C=CC6=CC=C(C=C6)OC

DOS

IR

Vibrations