Geometry & MOs

Info

ID:	405003
PubChem CID:	135072115
Reduced:	OF3N3H12C16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	333.220498
ΔH_f, kcal/mol:	-68.3
Dipole, Da:	7.31
IP(EA), eV:	-8.93(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-1-[benzyl(prop-2-enyl)amino]-3-methylbutan-2-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N=[N+]=[N-])/C=C/C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations