Geometry & MOs

Info

ID:	32686
PubChem CID:	7847147
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	416.069448
ΔH_f, kcal/mol:	-126.89
Dipole, Da:	2.95
IP(EA), eV:	-9.52(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N[C@@H]3CCC[C@H]([C@H]3C)C

DOS

IR

Vibrations