Geometry & MOs

Info

ID:	174909
PubChem CID:	75831222
Reduced:	ON2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	373.108573
ΔH_f, kcal/mol:	-63.19
Dipole, Da:	3.61
IP(EA), eV:	-8.41(0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1C(=O)C)C)C(=O)NCCCN2CCN(CC2C3=CC=CC=C3)C

DOS

IR

Vibrations