Geometry & MOs

Info

ID:	41082
PubChem CID:	8145221
Reduced:	N3C25H26 (1)
Stoich.:	A3B25C26 (1)
Weight, g/mol:	367.204848
ΔH_f, kcal/mol:	141.73
Dipole, Da:	14.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.124505
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-benzyl-5-methyl-2-phenyl-3,6-dihydro-2H-pyridin-4-yl]-phenyldiazene

Drug info:

PubChemData

Smile

CC1=C(C[C@@H]([NH+](C1)CC2=CC=CC=C2)C3=CC=CC=C3)N=NC4=CC=CC=C4

DOS

IR

Vibrations