Geometry & MOs

Info

ID:	249798
PubChem CID:	103092187
Reduced:	ClNOF2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	211.117256
ΔH_f, kcal/mol:	-126.44
Dipole, Da:	3.06
IP(EA), eV:	-9.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[3-(difluoromethyl)phenyl]-N-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=C(C=CC(=C1)Cl)OC(F)F)NC

DOS

IR

Vibrations