Geometry & MOs

Info

ID:	300076
PubChem CID:	119526691
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	361.155705
ΔH_f, kcal/mol:	15.23
Dipole, Da:	3.05
IP(EA), eV:	-9.1(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,3-dicarboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)N=CS3)N

DOS

IR

Vibrations