Geometry & MOs

Info

ID:	344231
PubChem CID:	127267407
Reduced:	ClO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-17.56
Dipole, Da:	4.97
IP(EA), eV:	-8.73(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-phenyl-1,2,4-triazol-3-yl)phenoxy]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2C(=O)C(=CC(=N2)Cl)C3CC3

DOS

IR

Vibrations