Geometry & MOs

Info

ID:	376221
PubChem CID:	134222231
Reduced:	F3N3C22H22 (1)
Stoich.:	A3B3C22D22 (1)
Weight, g/mol:	375.192232
ΔH_f, kcal/mol:	-85.23
Dipole, Da:	4.58
IP(EA), eV:	-8.12(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2-aminoethenyl)-4-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-N-methylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(/C=C/C2=CC(=C(C(=C2)C)N/C=C/N)C#N)C(F)(F)F)C

DOS

IR

Vibrations