Geometry & MOs

Info

ID:	275208
PubChem CID:	103814590
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	265.215413
ΔH_f, kcal/mol:	-56.17
Dipole, Da:	3.46
IP(EA), eV:	-8.98(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(2,4-dimethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)C2(CCCC2)N)C

DOS

IR

Vibrations