Geometry & MOs

Info

ID:	69294
PubChem CID:	46530601
Reduced:	O2N4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	25.89
Dipole, Da:	3.87
IP(EA), eV:	-8.84(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations