Geometry & MOs

Info

ID:	349428
PubChem CID:	127275215
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-124.17
Dipole, Da:	4.84
IP(EA), eV:	-9.09(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1CCS(=O)(=O)C1)N2CCCC(CC2)C3=CC=CC=C3

DOS

IR

Vibrations