Geometry & MOs

Info

ID:	348277
PubChem CID:	127273342
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-35.14
Dipole, Da:	1.82
IP(EA), eV:	-9.07(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-butan-2-ylphenyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(C)C)C(=CO2)CC(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations