Geometry & MOs

Info

ID:	48317
PubChem CID:	10538864
Reduced:	NO2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	-77.75
Dipole, Da:	0.9
IP(EA), eV:	-8.96(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCC1=O)N([N+](=O)C2(CCCC2=O)C)[O-]

DOS

IR

Vibrations