Geometry & MOs

Info

ID:	61235
PubChem CID:	26707252
Reduced:	ClN2O3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	-109.54
Dipole, Da:	5.0
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]amino]-N-cyclopentylbenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)[C@@H]3CC4=C(C=CC(=C4)Cl)OC3

DOS

IR

Vibrations