Geometry & MOs

Info

ID:	140663
PubChem CID:	52738682
Reduced:	O2N3C25H25 (1)
Stoich.:	A2B3C25D25 (1)
Weight, g/mol:	361.168281
ΔH_f, kcal/mol:	26.94
Dipole, Da:	3.23
IP(EA), eV:	-8.9(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]-1-phenylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)[C@H](CNC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2C#N)C3=CC=CC=C3

DOS

IR

Vibrations