Geometry & MOs

Info

ID:	392173
PubChem CID:	135013538
Reduced:	O3C21H32 (1)
Stoich.:	A3B21C32 (1)
Weight, g/mol:	367.072369
ΔH_f, kcal/mol:	-163.34
Dipole, Da:	1.64
IP(EA), eV:	-8.39(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-amino-4-nitroanilino)-5-chlorophenyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1CC[C@@H]2[C@@]([C@H]1CC3=CC(=C(C=C3O)O)O)(CCCC2(C)C)C

DOS

IR

Vibrations