Geometry & MOs

Info

ID:	297025
PubChem CID:	117606402
Reduced:	INOC17H28 (1)
Stoich.:	ABCD17E28 (1)
Weight, g/mol:	543.03791
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	2.32
IP(EA), eV:	-8.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[difluoro(iodo)methoxy]-2-fluorophenyl]-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

Drug info:

PubChemData

Smile

C=CCC1CC(CC2C1OCN(C2)C3CCCCC3)I

DOS

IR

Vibrations