Geometry & MOs

Info

ID:	426175
PubChem CID:	135141962
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	456.171689
ΔH_f, kcal/mol:	-42.98
Dipole, Da:	5.62
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,4R)-4-(4-chloroanilino)-2-methyl-6-(3-pyrazol-1-ylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@@H](CC(=O)OCC3=CC=CC=C3)C4=CC(=C(C=C4)C)CO)C)N=N1

DOS

IR

Vibrations