Geometry & MOs

Info

ID:	62756
PubChem CID:	26736637
Reduced:	O3N4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-19.11
Dipole, Da:	13.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.063929
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43)CC5=CC=CC=C5

DOS

IR

Vibrations