Geometry & MOs

Info

ID:	350787
PubChem CID:	127279075
Reduced:	NOSC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-45.14
Dipole, Da:	4.46
IP(EA), eV:	-9.14(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethylpyrrolidin-1-yl)-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCCC2(C)C

DOS

IR

Vibrations