Geometry & MOs

Info

ID:	257217
PubChem CID:	103144434
Reduced:	BrON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-16.52
Dipole, Da:	2.81
IP(EA), eV:	-7.99(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)-2-methyloxolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)CC2=CC(=CC=C2)Br)C)N

DOS

IR

Vibrations