Geometry & MOs

Info

ID:	137262
PubChem CID:	52179030
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	389.163195
ΔH_f, kcal/mol:	-41.93
Dipole, Da:	3.94
IP(EA), eV:	-9.19(0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)C(=O)N(C)[C@@H]1CCC2=CC=CC=C12

DOS

IR

Vibrations