Geometry & MOs

Info

ID:	175213
PubChem CID:	75868055
Reduced:	N3O5C25H34 (1)
Stoich.:	A3B5C25D34 (1)
Weight, g/mol:	455.242021
ΔH_f, kcal/mol:	-144.0
Dipole, Da:	4.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.243385
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC[NH+](CC)C(CNC(=O)C=CC1=CC(=C(C=C1)OCC(=O)N)OC)C2=CC(=CC=C2)OC

DOS

IR

Vibrations