Geometry & MOs

Info

ID:	336092
PubChem CID:	127255099
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	334.211724
ΔH_f, kcal/mol:	-34.08
Dipole, Da:	5.07
IP(EA), eV:	-8.32(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)CCNC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations