Geometry & MOs

Info

ID:	141236
PubChem CID:	52845036
Reduced:	ClN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	402.17102
ΔH_f, kcal/mol:	-123.6
Dipole, Da:	6.0
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-methyl-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCCC(=O)NC2=C(C=CC(=C2)C(=O)N(C)C(C)C)Cl)C

DOS

IR

Vibrations