Geometry & MOs

Info

ID:	391736
PubChem CID:	135009099
Reduced:	ClS2N3C24H30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	30.21
Dipole, Da:	3.78
IP(EA), eV:	-8.41(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-4-(1-nitropropyl)quinoline

Drug info:

PubChemData

Smile

CC(C)CC(C(=S)NC(C)(C)C)N(CC1=CC=C(C=C1)Cl)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations