Geometry & MOs

Info

ID:	376879
PubChem CID:	134222909
Reduced:	O9C23H32 (1)
Stoich.:	A9B23C32 (1)
Weight, g/mol:	322.240899
ΔH_f, kcal/mol:	-353.94
Dipole, Da:	6.03
IP(EA), eV:	-8.72(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-butyl-4-ethenylanilino)propyl]-2-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C(=C2)OC)O)OC)O)OC)C(C(C)CO)O

DOS

IR

Vibrations