Geometry & MOs

Info

ID:	214255
PubChem CID:	84974794
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-88.18
Dipole, Da:	4.72
IP(EA), eV:	-9.42(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC(=O)C=CC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations