Geometry & MOs

Info

ID:	51010
PubChem CID:	12013622
Reduced:	NC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	149.091995
ΔH_f, kcal/mol:	29.62
Dipole, Da:	2.38
IP(EA), eV:	-8.37(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trideuteriomethyl)-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2[C@H]3[C@@H]2CCCC3

DOS

IR

Vibrations