Geometry & MOs

Info

ID:	384929
PubChem CID:	134977979
Reduced:	NH20C22 (1)
Stoich.:	AB20C22 (1)
Weight, g/mol:	401.157407
ΔH_f, kcal/mol:	108.43
Dipole, Da:	1.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.123008
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-diphenylcyclopropyl)-4-methoxyaniline;tetrafluoroborate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2C([C+]2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations