Geometry & MOs

Info

ID:	39973
PubChem CID:	8143314
Reduced:	O3N4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	392.148455
ΔH_f, kcal/mol:	-11.77
Dipole, Da:	5.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754433
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-2-[methyl-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C[NH+](C)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3)C

DOS

IR

Vibrations