Geometry & MOs

Info

ID:	299760
PubChem CID:	117689207
Reduced:	ON2F4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	246.079313
ΔH_f, kcal/mol:	-221.06
Dipole, Da:	6.9
IP(EA), eV:	-9.06(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-phenanthro[9,10-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)CCNC(C2CC2)C3=CC=C(C=C3)OC(F)F)(F)F

DOS

IR

Vibrations