Geometry & MOs

Info

ID:	320602
PubChem CID:	126661983
Reduced:	N3O5C31H47 (1)
Stoich.:	A3B5C31D47 (1)
Weight, g/mol:	421.221286
ΔH_f, kcal/mol:	-254.99
Dipole, Da:	4.96
IP(EA), eV:	-8.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-1-yl]-5-nitrocyclohepta-1,3,6-triene-1-carboxylate

Drug info:

PubChemData

Smile

C/C=C(\CCC(C)C(=O)N1CCC(CC1)C(=O)N)/C2=CC=C(C=C2)OCC3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations