Geometry & MOs

Info

ID:	353014
PubChem CID:	127284164
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-136.45
Dipole, Da:	3.63
IP(EA), eV:	-9.25(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-8-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations