Geometry & MOs

Info

ID:	244460
PubChem CID:	99355619
Reduced:	O2N4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	22.54
Dipole, Da:	3.7
IP(EA), eV:	-9.11(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-phenyl-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=CC3=CC=CC=C32)C(=O)C4=CC=CN5C4=NC=C5

DOS

IR

Vibrations