Geometry & MOs

Info

ID:	168646
PubChem CID:	74998205
Reduced:	O3N4C7H16 (1)
Stoich.:	A3B4C7D16 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	-136.13
Dipole, Da:	4.71
IP(EA), eV:	-9.66(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-amino-3-phenylpropanoyl)pyrrolidin-2-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C(CN)C(C(=O)O)NC(=O)C(CN)N

DOS

IR

Vibrations