Geometry & MOs

Info

ID:	123778
PubChem CID:	50861775
Reduced:	N3O6C27H29 (1)
Stoich.:	A3B6C27D29 (1)
Weight, g/mol:	457.13649
ΔH_f, kcal/mol:	-193.43
Dipole, Da:	12.1
IP(EA), eV:	-8.43(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)OC)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)C(CC1(C)C)C

DOS

IR

Vibrations