Geometry & MOs

Info

ID:	344126
PubChem CID:	127267302
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-120.7
Dipole, Da:	4.42
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylazepane-1-carbonyl)-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(C)(CCCN(C)C)NC(=O)C1=C2C(=CC=C1)OCC(=O)N2

DOS

IR

Vibrations