Geometry & MOs

Info

ID:	430139
PubChem CID:	135170200
Reduced:	ClSO3N5C20H22 (1)
Stoich.:	ABC3D5E20F22 (1)
Weight, g/mol:	354.278347
ΔH_f, kcal/mol:	59.66
Dipole, Da:	4.72
IP(EA), eV:	-9.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethyl-1,2,3,4-tetrahydropyridin-6-yl)-4-(methylideneamino)-2-(4-pyrrolidin-1-ylbutyl)aniline

Drug info:

PubChemData

Smile

C=CC(C12CC[C@@H]1[C@@H]3[C@H]2CN(C3)C(=O)C4=NNN=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations