Geometry & MOs

Info

ID:	123945
PubChem CID:	50867161
Reduced:	ClFOSN3H23C24 (1)
Stoich.:	ABCDE3F23G24 (1)
Weight, g/mol:	410.176106
ΔH_f, kcal/mol:	-16.62
Dipole, Da:	5.26
IP(EA), eV:	-8.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)Cl)/C=C/3\C(=O)N=C(S3)NC4=CC=C(C=C4)F)C(=CC1(C)C)C

DOS

IR

Vibrations