Geometry & MOs

Info

ID:	244212
PubChem CID:	99319405
Reduced:	ClN2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-142.24
Dipole, Da:	4.67
IP(EA), eV:	-8.81(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(benzotriazol-1-ylmethyl)benzoyl]piperidin-4-yl]-3-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)NC2CCN(CC2)C(=O)CCCOC3=CC=CC=C3Cl

DOS

IR

Vibrations