Geometry & MOs

Info

ID:	123845
PubChem CID:	50863145
Reduced:	OSCl3N3C25H26 (1)
Stoich.:	ABC3D3E25F26 (1)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	-8.17
Dipole, Da:	6.37
IP(EA), eV:	-8.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=C/3\C(=O)N=C(S3)NC4=C(C(=CC=C4)Cl)Cl)C(CC1(C)C)C

DOS

IR

Vibrations