Geometry & MOs

Info

ID:	367607
PubChem CID:	127325096
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-112.34
Dipole, Da:	4.69
IP(EA), eV:	-9.37(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NC(=O)CC3C4=CC=CC=C4CCO3

DOS

IR

Vibrations