Geometry & MOs

Info

ID:	244461
PubChem CID:	99355620
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	18.84
Dipole, Da:	4.24
IP(EA), eV:	-8.83(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)N3C=NN=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations