Geometry & MOs

Info

ID:	39978
PubChem CID:	8143337
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	96.02
Dipole, Da:	11.89
IP(EA), eV:	-5.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations