Geometry & MOs

Info

ID:	189189
PubChem CID:	77825741
Reduced:	NO2C14H25 (1)
Stoich.:	AB2C14D25 (1)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	-110.7
Dipole, Da:	6.25
IP(EA), eV:	-8.52(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-N-[1-(3-methyl-4-pyrazol-1-ylphenyl)ethyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(C)(C)C(CC(=C)NC1CCCC1)C(=O)O

DOS

IR

Vibrations