Geometry & MOs

Info

ID:	139988
PubChem CID:	52627176
Reduced:	N2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	399.239616
ΔH_f, kcal/mol:	-61.16
Dipole, Da:	5.0
IP(EA), eV:	-8.42(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[[5-(dimethylcarbamoyl)-2-methylphenyl]carbamoylamino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)NC1=CC=CC=C1OC(C)C)C2=CC=CC=C2

DOS

IR

Vibrations