Geometry & MOs

Info

ID:	430149
PubChem CID:	135170212
Reduced:	NSO3H17C23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	341.283098
ΔH_f, kcal/mol:	-17.37
Dipole, Da:	7.88
IP(EA), eV:	-8.37(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-ethyl-2,3-dimethyl-7-(pyrrolidin-1-ylmethyl)-4H-quinolin-3-yl]-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C(C(S2)C4=CC(=CC=C4)O)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations