Geometry & MOs

Info

ID:	39952
PubChem CID:	8143257
Reduced:	N4O4C23H25 (1)
Stoich.:	A4B4C23D25 (1)
Weight, g/mol:	387.054132
ΔH_f, kcal/mol:	-50.43
Dipole, Da:	5.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766108
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC[NH+](CC1=NC(=O)C2=C(N1)C3=CC=CC=C3O2)CC(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations