Geometry & MOs

Info

ID:	349343
PubChem CID:	127275130
Reduced:	SN2O4C17H30 (1)
Stoich.:	AB2C4D17E30 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-197.7
Dipole, Da:	8.05
IP(EA), eV:	-9.2(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)N(C2CCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations