Geometry & MOs

Info

ID:	257225
PubChem CID:	103144501
Reduced:	OCl2N2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-25.84
Dipole, Da:	4.6
IP(EA), eV:	-7.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=C(C=CC=C2Cl)Cl)C)N

DOS

IR

Vibrations