Geometry & MOs

Info

ID:	143439
PubChem CID:	53209236
Reduced:	ClFN2O2H24C26 (1)
Stoich.:	ABC2D2E24F26 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-74.84
Dipole, Da:	7.25
IP(EA), eV:	-8.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)furo[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNCC2=C(N(C3=C2C=CC(=C3)C)CC4=C(C=C(C=C4)F)Cl)C(=O)O

DOS

IR

Vibrations