Geometry & MOs

Info

ID:	123985
PubChem CID:	50868793
Reduced:	O2N3C29H33 (1)
Stoich.:	A2B3C29D33 (1)
Weight, g/mol:	429.241627
ΔH_f, kcal/mol:	-5.47
Dipole, Da:	7.65
IP(EA), eV:	-7.82(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(4-methoxyphenyl)-3-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)/C=N/NC(=O)COC3=CC=CC4=CC=CC=C43)C(=CC1(C)C)C

DOS

IR

Vibrations