Geometry & MOs

Info

ID:	1091
PubChem CID:	3775
Reduced:	ON2C23H33 (1)
Stoich.:	AB2C23D33 (1)
Weight, g/mol:	353.259289
ΔH_f, kcal/mol:	12.75
Dipole, Da:	3.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750900
Charge, e:	1

Chem-info

IUPAC name:

(4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium

Drug info:

PubChemData

Smile

CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C

DOS

IR

Vibrations