Geometry & MOs

Info

ID:	292557
PubChem CID:	116933586
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-72.48
Dipole, Da:	1.6
IP(EA), eV:	-8.39(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-diamino-3-methylbutyl)-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(CC(C)(C)N)N)OCCO2

DOS

IR

Vibrations