Geometry & MOs

Info

ID:	41911
PubChem CID:	8147805
Reduced:	NO5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	-114.43
Dipole, Da:	3.53
IP(EA), eV:	-8.73(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3O2

DOS

IR

Vibrations