Geometry & MOs

Info

ID:	126661
PubChem CID:	50972567
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-15.68
Dipole, Da:	5.84
IP(EA), eV:	-8.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dimethylamino)pyrrolidin-1-yl]-[2-methyl-3-(pyridin-3-ylmethylamino)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC)C(=O)N(CC=C)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations