Geometry & MOs

Info

ID:	422695
PubChem CID:	135118260
Reduced:	NO2C24H29 (1)
Stoich.:	AB2C24D29 (1)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	-74.03
Dipole, Da:	6.31
IP(EA), eV:	-9.02(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-N-(quinolin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C)O

DOS

IR

Vibrations