Geometry & MOs

Info

ID:	247578
PubChem CID:	103072291
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	3.14
Dipole, Da:	1.79
IP(EA), eV:	-8.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]quinoxalin-2-one

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C2=CC=CC=C2N=C(C1=O)C

DOS

IR

Vibrations