Geometry & MOs

Info

ID:	228637
PubChem CID:	87565458
Reduced:	NOC13H26 (1)
Stoich.:	ABC13D26 (1)
Weight, g/mol:	394.246772
ΔH_f, kcal/mol:	-47.66
Dipole, Da:	5.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754132
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(6-aminohexyl)-2-methyl-3-(2,3,4,5-tetramethoxy-6-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C[N+]1(CCCC(=O)C1)CC(C)C

DOS

IR

Vibrations