Geometry & MOs

Info

ID:	126555
PubChem CID:	50967688
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	87.61
Dipole, Da:	4.18
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CC1(CNC(=O)C2=CC(=CC=C2)N3C=CC=N3)CN4C=CC=N4

DOS

IR

Vibrations