Geometry & MOs

Info

ID:	280788
PubChem CID:	103851285
Reduced:	NF4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	264.162649
ΔH_f, kcal/mol:	-156.03
Dipole, Da:	3.75
IP(EA), eV:	-9.4(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(CC1=C(C=CC=C1F)F)NCC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations