Geometry & MOs

Info

ID:	228065
PubChem CID:	87563311
Reduced:	OC16H34 (1)
Stoich.:	AB16C34 (1)
Weight, g/mol:	512.183539
ΔH_f, kcal/mol:	-123.72
Dipole, Da:	1.51
IP(EA), eV:	-9.4(2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-but-3-ynyl-2-[N-ethyl-4-(trifluoromethyl)anilino]-6-(4-fluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)CC(C(C)C)OC(CC(C)C)C(C)C

DOS

IR

Vibrations