Geometry & MOs

Info

ID:	182503
PubChem CID:	76894908
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-50.33
Dipole, Da:	5.03
IP(EA), eV:	-8.94(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3,3-dimethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(C)C(=O)C(CCSC)N

DOS

IR

Vibrations