Geometry & MOs

Info

ID:	41830
PubChem CID:	8147203
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	6.06
IP(EA), eV:	-8.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)[C@@H](C)C3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations