Geometry & MOs

Info

ID:	200040
PubChem CID:	79336294
Reduced:	ClN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	268.215078
ΔH_f, kcal/mol:	-57.14
Dipole, Da:	8.11
IP(EA), eV:	-8.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-aminocycloheptyl)methyl azepane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCN(C)C1=C(C=C2C(=C1)NC(=O)C2=O)Cl

DOS

IR

Vibrations