Geometry & MOs

Info

ID:	353012
PubChem CID:	127284162
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-62.38
Dipole, Da:	4.08
IP(EA), eV:	-9.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)OC(=C2)C(=O)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations