Geometry & MOs

Info

ID:	228286
PubChem CID:	87563808
Reduced:	OZrC3H7 (1)
Stoich.:	ABC3D7 (1)
Weight, g/mol:	532.090613
ΔH_f, kcal/mol:	39.89
Dipole, Da:	0.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.178775
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]-methylazanium

Drug info:

PubChemData

Smile

[CH2-]CCO.[Zr]

DOS

IR

Vibrations