Geometry & MOs

Info

ID:	140630
PubChem CID:	52732261
Reduced:	OCl2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	361.074868
ΔH_f, kcal/mol:	12.28
Dipole, Da:	8.0
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanoanilino)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)Cl)Cl)N(C)C(=O)CNC2=CC=C(C=C2)C#N

DOS

IR

Vibrations