Geometry & MOs

Info

ID:	177874
PubChem CID:	76247772
Reduced:	N3O4C25H25 (1)
Stoich.:	A3B4C25D25 (1)
Weight, g/mol:	407.173273
ΔH_f, kcal/mol:	-100.96
Dipole, Da:	4.51
IP(EA), eV:	-8.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OC)NC(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations