Geometry & MOs

Info

ID:	5893
PubChem CID:	13967
Reduced:	O2N3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	312.171202
ΔH_f, kcal/mol:	-17.31
Dipole, Da:	1.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755659
Charge, e:	1

Chem-info

IUPAC name:

bis(2-anilino-2-oxoethyl)-dimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(CC(=O)NC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations