Geometry & MOs

Info

ID:	144540
PubChem CID:	53383143
Reduced:	O2N4H24C27 (1)
Stoich.:	A2B4C24D27 (1)
Weight, g/mol:	480.14337
ΔH_f, kcal/mol:	27.66
Dipole, Da:	3.99
IP(EA), eV:	-9.21(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)C#N)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4

DOS

IR

Vibrations