Geometry & MOs

Info

ID:	438719
PubChem CID:	135228470
Reduced:	FSO4N5C27H30 (1)
Stoich.:	ABC4D5E27F30 (1)
Weight, g/mol:	403.3239
ΔH_f, kcal/mol:	-136.64
Dipole, Da:	4.35
IP(EA), eV:	-8.95(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethylphenyl)methyl]-2-methyl-N-[5-methyl-3-(2-methylprop-2-enyl)octa-1,7-dien-2-yl]cyclohexa-1,5-dien-1-amine

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CCC3=C(C=CC(=C3)F)OC)C(C)(C)C(=O)N4CCCC4)N5C=CC=N5

DOS

IR

Vibrations