Geometry & MOs

Info

ID:	257228
PubChem CID:	103144517
Reduced:	ClON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-28.92
Dipole, Da:	2.21
IP(EA), eV:	-7.99(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)cyclooctanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2C)N)C)Cl

DOS

IR

Vibrations