Geometry & MOs

Info

ID:	123959
PubChem CID:	50867694
Reduced:	O2N3C27H29 (1)
Stoich.:	A2B3C27D29 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	-0.29
Dipole, Da:	7.21
IP(EA), eV:	-7.97(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-benzyl-2-cyano-3-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)OC)/C=N\NC(=O)C3=CC4=CC=CC=C4C=C3)C(=CC1(C)C)C

DOS

IR

Vibrations