Geometry & MOs

Info

ID:	191422
PubChem CID:	78144941
Reduced:	N2O2C27H30 (1)
Stoich.:	A2B2C27D30 (1)
Weight, g/mol:	517.16164
ΔH_f, kcal/mol:	-46.19
Dipole, Da:	1.61
IP(EA), eV:	-8.01(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[4-(4-bromophenyl)anilino]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Drug info:

PubChemData

Smile

CC12CCCC(C1CCC3=C2C=CC(=C3)NC4=CC=CC5=C4N=CC=C5)(C)C(=O)OC

DOS

IR

Vibrations