Geometry & MOs

Info

ID:	9572
PubChem CID:	91065
Reduced:	ClN3C26H30 (1)
Stoich.:	AB3C26D30 (1)
Weight, g/mol:	419.212826
ΔH_f, kcal/mol:	70.35
Dipole, Da:	2.53
IP(EA), eV:	-8.68(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)-phenylmethyl]ethanamine

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations