Geometry & MOs

Info

ID:	366845
PubChem CID:	127320483
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-101.48
Dipole, Da:	7.12
IP(EA), eV:	-8.89(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methylazepan-1-yl)-2-oxoethyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C2=CC3=C(CCCC3)NC2=O

DOS

IR

Vibrations