Geometry & MOs

Info

ID:	359838
PubChem CID:	127299882
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-6.51
Dipole, Da:	3.68
IP(EA), eV:	-8.72(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C(C)N2CCN(CC2)C3CCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations