Geometry & MOs

Info

ID:	144224
PubChem CID:	53333591
Reduced:	O2N5C24H25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	439.129884
ΔH_f, kcal/mol:	58.39
Dipole, Da:	5.31
IP(EA), eV:	-8.4(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN3C=CN=C(C3=C2)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations