Geometry & MOs

Info

ID:	227570
PubChem CID:	87562010
Reduced:	ON3C26H48 (1)
Stoich.:	AB3C26D48 (1)
Weight, g/mol:	526.06637
ΔH_f, kcal/mol:	-62.68
Dipole, Da:	4.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759561
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-methyl-[2-(methylamino)ethyl]azanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+](C)(C)C(C)(C(C)C)N(C(=O)C1=CC=CC=C1)N

DOS

IR

Vibrations