Geometry & MOs

Info

ID:	174622
PubChem CID:	75795847
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-52.87
Dipole, Da:	7.72
IP(EA), eV:	-8.37(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)C3=CCN(CC3)C(=O)C4(C(=O)NC5=CC=CC=C5O4)C

DOS

IR

Vibrations