Geometry & MOs

Info

ID:	76191
PubChem CID:	48424568
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-111.44
Dipole, Da:	2.25
IP(EA), eV:	-8.71(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(C)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations