Geometry & MOs

Info

ID:	384656
PubChem CID:	134977410
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	441.254203
ΔH_f, kcal/mol:	-39.78
Dipole, Da:	3.74
IP(EA), eV:	-9.37(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2,3-bis(4-tert-butylphenyl)cyclopropyl]-4-nitroaniline

Drug info:

PubChemData

Smile

CC(C)[C@H]1CCC2=C(C1)C(=C)CC2=O

DOS

IR

Vibrations