Geometry & MOs

Info

ID:	38619
PubChem CID:	8137264
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	376.153541
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	5.4
IP(EA), eV:	-9.55(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-(1,2,4-triazol-1-yl)benzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C)OC(=O)C1=CC=C(C=C1)N2C=NC=N2

DOS

IR

Vibrations