Geometry & MOs

Info

ID:	39075
PubChem CID:	8139651
Reduced:	ON2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	361.191603
ΔH_f, kcal/mol:	-0.12
Dipole, Da:	5.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.997658
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(4-phenoxybenzoyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+](C)C

DOS

IR

Vibrations