Geometry & MOs

Info

ID:	123887
PubChem CID:	50863905
Reduced:	BrN3O3C25H32 (1)
Stoich.:	AB3C3D25E32 (1)
Weight, g/mol:	447.252192
ΔH_f, kcal/mol:	-74.13
Dipole, Da:	12.15
IP(EA), eV:	-8.0(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(4-methoxyphenyl)-3-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)/C=N/NC(=O)COC3=CC(=CC=C3)Br)C(CC1(C)C)C

DOS

IR

Vibrations