Geometry & MOs

Info

ID:	123830
PubChem CID:	50862823
Reduced:	SN2O2C23H32 (1)
Stoich.:	AB2C2D23E32 (1)
Weight, g/mol:	431.153118
ΔH_f, kcal/mol:	-100.49
Dipole, Da:	6.58
IP(EA), eV:	-7.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)/C=C/3\C(=O)N(C(=O)S3)CCC)C(CC1(C)C)C

DOS

IR

Vibrations