Geometry & MOs

Info

ID:	236884
PubChem CID:	92715426
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-51.5
Dipole, Da:	3.66
IP(EA), eV:	-9.17(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2CCCN2C(=O)C(C)(C)C

DOS

IR

Vibrations