Geometry & MOs

Info

ID:	74176
PubChem CID:	48421551
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	412.269908
ΔH_f, kcal/mol:	-62.72
Dipole, Da:	3.83
IP(EA), eV:	-8.35(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylpiperazin-1-yl)ethyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=C(N=CC=C3)OC

DOS

IR

Vibrations