Geometry & MOs

Info

ID:	350061
PubChem CID:	127276934
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-54.98
Dipole, Da:	4.18
IP(EA), eV:	-8.52(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CN2CCOCC2)CC(=O)N3CCC4=C(C3)C5=CC=CC=C5N4

DOS

IR

Vibrations