Geometry & MOs

Info

ID:	378780
PubChem CID:	134224879
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	403.0797
ΔH_f, kcal/mol:	-64.95
Dipole, Da:	4.22
IP(EA), eV:	-8.46(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-N-[(3E)-5-methylhepta-1,3-dien-4-yl]-N-phenylaniline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CC1=CC=CO1)NC2=CN=C3C(=N2)CCC4=CC=CC=C43

DOS

IR

Vibrations