Geometry & MOs

Info

ID:	447345
PubChem CID:	135282150
Reduced:	ClO3N5C18H24 (1)
Stoich.:	AB3C5D18E24 (1)
Weight, g/mol:	204.069891
ΔH_f, kcal/mol:	-87.01
Dipole, Da:	2.79
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2-fluoro-4-(2-methyl-1H-pyrimidin-6-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)C[C@@](C)(COC1=C(C=C(C=N1)C2=CC(=NC=N2)N(C)C(=O)O)Cl)N

DOS

IR

Vibrations