Geometry & MOs

Info

ID:	274178
PubChem CID:	103807587
Reduced:	BrClON2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-11.03
Dipole, Da:	3.88
IP(EA), eV:	-8.07(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations