Geometry & MOs

Info

ID:	360673
PubChem CID:	127301318
Reduced:	ON7C17H23 (1)
Stoich.:	AB7C17D23 (1)
Weight, g/mol:	397.259009
ΔH_f, kcal/mol:	80.27
Dipole, Da:	8.04
IP(EA), eV:	-9.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)CN2CCN(CC2)CC3=NN=NN3C4=CC=CC=C4

DOS

IR

Vibrations