Geometry & MOs

Info

ID:	227565
PubChem CID:	87561999
Reduced:	N2O2C13H22 (1)
Stoich.:	A2B2C13D22 (1)
Weight, g/mol:	546.106263
ΔH_f, kcal/mol:	-74.24
Dipole, Da:	1.53
IP(EA), eV:	-9.14(0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC(C)N(CC)C(=O)C=C)C(=O)C=C

DOS

IR

Vibrations