Geometry & MOs

Info

ID:	345706
PubChem CID:	127270006
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-35.88
Dipole, Da:	3.27
IP(EA), eV:	-8.61(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropanecarbonyl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NN2)C3=CC=C(C=C3)NC(=O)C4COCCO4

DOS

IR

Vibrations