Geometry & MOs

Info

ID:	300103
PubChem CID:	119526830
Reduced:	ClN2O3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-91.19
Dipole, Da:	3.13
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxybenzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(C=CO2)COC3=CC=CC=C3)N.Cl

DOS

IR

Vibrations