Geometry & MOs

Info

ID:	274135
PubChem CID:	103807257
Reduced:	ClION2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-30.36
Dipole, Da:	2.55
IP(EA), eV:	-9.26(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(aminomethyl)cyclohexyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)CN)NC(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations