Geometry & MOs

Info

ID:	39979
PubChem CID:	8143338
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	362.092752
ΔH_f, kcal/mol:	15.4
Dipole, Da:	9.33
IP(EA), eV:	-8.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations