Geometry & MOs

Info

ID:	280946
PubChem CID:	103852096
Reduced:	NOF2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	285.103275
ΔH_f, kcal/mol:	-95.8
Dipole, Da:	4.02
IP(EA), eV:	-8.24(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-chloro-4-(dimethylamino)anilino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC2=CC(=CC(=C2)F)F)OC

DOS

IR

Vibrations