Geometry & MOs

Info

ID:	373684
PubChem CID:	131318763
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	223.08087
ΔH_f, kcal/mol:	-20.2
Dipole, Da:	2.91
IP(EA), eV:	-9.03(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(difluoromethyl)-2-hydroxy-5-methylphenyl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(CN)C#N)C)C)O

DOS

IR

Vibrations