Geometry & MOs

Info

ID:	438331
PubChem CID:	135228064
Reduced:	ClNC17H22 (1)
Stoich.:	ABC17D22 (1)
Weight, g/mol:	386.07939
ΔH_f, kcal/mol:	35.91
Dipole, Da:	1.12
IP(EA), eV:	-9.35(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-N-[(3E,5Z)-3-fluoro-2-methylidene-1-phenylhepta-3,5-dienyl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCC(C)/C(=C(\C=C/C=C)/Cl)/C(C1=CC=CC=C1)N

DOS

IR

Vibrations