Geometry & MOs

Info

ID:	236883
PubChem CID:	92715417
Reduced:	SO2N6H22C23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	34.2
Dipole, Da:	10.74
IP(EA), eV:	-8.75(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(O3)SCC(=O)N[C@@H](C)C4=NC5=CC=CC=C5N4)C

DOS

IR

Vibrations