Geometry & MOs

Info

ID:	123846
PubChem CID:	50863146
Reduced:	ClO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	403.148511
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	3.07
IP(EA), eV:	-7.93(-0.6)
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]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=N/NC(=O)C3=CC=CO3)C(CC1(C)C)C

DOS

IR

Vibrations