Geometry & MOs

Info

ID:	350801
PubChem CID:	127279089
Reduced:	ON7C18H27 (1)
Stoich.:	AB7C18D27 (1)
Weight, g/mol:	397.259009
ΔH_f, kcal/mol:	11.4
Dipole, Da:	8.81
IP(EA), eV:	-9.26(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-2-[4-[1-(4-methylphenyl)tetrazol-5-yl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C3=NC=NC4=C3NC=N4

DOS

IR

Vibrations