Geometry & MOs

Info

ID:	130287
PubChem CID:	51075515
Reduced:	ClN2O5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	310.189257
ΔH_f, kcal/mol:	-129.39
Dipole, Da:	6.6
IP(EA), eV:	-10.16(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(CCCCC1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations