Geometry & MOs

Info

ID:	64857
PubChem CID:	29204099
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	308.188863
ΔH_f, kcal/mol:	-32.1
Dipole, Da:	2.96
IP(EA), eV:	-9.04(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylquinolin-4-yl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)/C=C/C2=CSC(=N2)N(C3=CC=CC=C3)C(=O)C)C

DOS

IR

Vibrations