Geometry & MOs

Info

ID:	367963
PubChem CID:	127326169
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	340.237545
ΔH_f, kcal/mol:	-17.57
Dipole, Da:	3.21
IP(EA), eV:	-8.45(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylcyclohexyl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(C)C(=O)NC3=NC=CC=N3

DOS

IR

Vibrations