Geometry & MOs

Info

ID:	1941
PubChem CID:	5400
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-14.27
Dipole, Da:	3.96
IP(EA), eV:	-8.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CN(C)CC1CC2=CC=CC=C2C1=O

DOS

IR

Vibrations