Geometry & MOs

Info

ID:	144325
PubChem CID:	53350888
Reduced:	ClNPO3C20H28 (1)
Stoich.:	ABCD3E20F28 (1)
Weight, g/mol:	405.1846
ΔH_f, kcal/mol:	-180.89
Dipole, Da:	2.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764420
Charge, e:	-1

Chem-info

IUPAC name:

4-[(4-methylpiperazin-1-yl)iminomethyl]-N,N-diphenylaniline;chloride

Drug info:

PubChemData

Smile

CC(C)OP(=O)(C(C1=CC=CC=C1)NCC2=CC=CC=C2)OC(C)C.[Cl-]

DOS

IR

Vibrations