Geometry & MOs

Info

ID:	168082
PubChem CID:	74921515
Reduced:	NO5C30H31 (1)
Stoich.:	AB5C30D31 (1)
Weight, g/mol:	428.209993
ΔH_f, kcal/mol:	-118.03
Dipole, Da:	4.32
IP(EA), eV:	-8.4(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)-N-(2-methylquinolin-5-yl)but-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C=C(C)C2=C(C(=C3C(=C2)C(=CO3)C4=C(C=CC(=C4)OC)OC)C)OC

DOS

IR

Vibrations