Geometry & MOs

Info

ID:	167795
PubChem CID:	74877531
Reduced:	FNOC7H9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	360.02402
ΔH_f, kcal/mol:	-180.92
Dipole, Da:	3.92
IP(EA), eV:	-9.42(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(4-chloro-6-propan-2-yl-1,3-diazinan-2-ylidene)-6-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCC1CC(=O)NC(N1)C2=CC=CC=C2OC(F)F

DOS

IR

Vibrations