Geometry & MOs

Info

ID:	130350
PubChem CID:	51075680
Reduced:	ClFON2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	-96.9
Dipole, Da:	5.27
IP(EA), eV:	-8.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(benzotriazol-1-yl)acetyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCNC(=O)C2=C(C=CC=C2Cl)F

DOS

IR

Vibrations