Geometry & MOs

Info

ID:	185369
PubChem CID:	77290057
Reduced:	FN2O2C19H27 (1)
Stoich.:	AB2C2D19E27 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-116.84
Dipole, Da:	6.53
IP(EA), eV:	-9.13(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CC12CN(C(CN2C(=O)O)CF)CC3=CC=CC=C3

DOS

IR

Vibrations