Geometry & MOs

Info

ID:	403029
PubChem CID:	135058416
Reduced:	FNOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	363.256215
ΔH_f, kcal/mol:	-56.24
Dipole, Da:	3.82
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,6-bis[(E)-3,3-dimethylbut-1-enyl]-4-methoxyphenyl]aniline

Drug info:

PubChemData

Smile

CC(=O)N1CCCC2=C1C(=CC=C2)C3=CC(=CC=C3)F

DOS

IR

Vibrations