Geometry & MOs

Info

ID:	368018
PubChem CID:	127326510
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	397.259009
ΔH_f, kcal/mol:	-0.22
Dipole, Da:	5.15
IP(EA), eV:	-9.68(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylcyclohexyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=CC=C2)NC(=O)N(C)CC3CCCOC3

DOS

IR

Vibrations