Geometry & MOs

Info

ID:	166185
PubChem CID:	74647622
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	343.141973
ΔH_f, kcal/mol:	-6.71
Dipole, Da:	12.35
IP(EA), eV:	-8.65(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN2CCN(CC2)CCC(=O)NC3=CC4=NC(=O)N=C4C=C3

DOS

IR

Vibrations