Geometry & MOs

Info

ID:	277385
PubChem CID:	103828177
Reduced:	BrClNO2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-53.22
Dipole, Da:	4.78
IP(EA), eV:	-8.43(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-3-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Br)O

DOS

IR

Vibrations