Geometry & MOs

Info

ID:	126683
PubChem CID:	50973092
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	-75.48
Dipole, Da:	7.7
IP(EA), eV:	-9.68(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1-(3-hydroxyphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC(=C1)C2=NC=CC(=C2)C3CCN(C3)CC(=O)O

DOS

IR

Vibrations