Geometry & MOs

Info

ID:	208599
PubChem CID:	80550792
Reduced:	OSN4C15H26 (1)
Stoich.:	ABC4D15E26 (1)
Weight, g/mol:	322.007596
ΔH_f, kcal/mol:	-21.86
Dipole, Da:	6.16
IP(EA), eV:	-9.18(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-5-fluoro-2-(6-methoxynaphthalen-2-yl)pyrimidine

Drug info:

PubChemData

Smile

CCNCC1CCN(CC1)C(=O)C2=C(N=NS2)C(C)(C)C

DOS

IR

Vibrations