Geometry & MOs

Info

ID:	249941
PubChem CID:	103093010
Reduced:	FNC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	200.131349
ΔH_f, kcal/mol:	-26.58
Dipole, Da:	3.37
IP(EA), eV:	-8.96(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-methyl-3-(methylamino)but-1-enyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations