Geometry & MOs

Info

ID:	297289
PubChem CID:	117614559
Reduced:	N4H34C45 (1)
Stoich.:	A4B34C45 (1)
Weight, g/mol:	252.096186
ΔH_f, kcal/mol:	207.48
Dipole, Da:	3.89
IP(EA), eV:	-8.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-difluoro-4-methylcyclohexa-2,4-dien-1-yl)oxy-5-methylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C3=CC(=CC(=C3N2C4=C(C=CC(=C4C#N)N5C6=CC=CC=C6C7=CC8=C(C=C75)C9=CC=CC=C9C8(C)C)C#N)C)C)C

DOS

IR

Vibrations