Geometry & MOs

Info

ID:	350789
PubChem CID:	127279077
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-101.43
Dipole, Da:	4.73
IP(EA), eV:	-8.97(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC3=C(C=C2)OCO3)C

DOS

IR

Vibrations