Geometry & MOs

Info

ID:	29898
PubChem CID:	838056
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	281.162708
ΔH_f, kcal/mol:	-112.13
Dipole, Da:	3.68
IP(EA), eV:	-8.5(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-trimethoxy-N-(3-methylbutyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NCC2=CC=CC=C2)OC)OC

DOS

IR

Vibrations