Geometry & MOs

Info

ID:	292558
PubChem CID:	116933587
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-72.76
Dipole, Da:	2.52
IP(EA), eV:	-8.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CC(C1=CC2=C(C=C1)OCC(=O)N2)N)N

DOS

IR

Vibrations