Geometry & MOs

Info

ID:	276370
PubChem CID:	103822690
Reduced:	ClO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	182.080376
ΔH_f, kcal/mol:	-58.73
Dipole, Da:	6.03
IP(EA), eV:	-9.64(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC2=CC=CC=C2C(=N1)Cl)C(=O)N

DOS

IR

Vibrations