Geometry & MOs

Info

ID:	300093
PubChem CID:	119526786
Reduced:	ClOSN2C20H25 (1)
Stoich.:	ABCD2E20F25 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-50.84
Dipole, Da:	4.5
IP(EA), eV:	-8.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pyridin-3-yloxypropanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2CSC3=CC=CC=C23)N.Cl

DOS

IR

Vibrations