Geometry & MOs

Info

ID:	197616
PubChem CID:	78982778
Reduced:	N4O4C13H18 (1)
Stoich.:	A4B4C13D18 (1)
Weight, g/mol:	283.153206
ΔH_f, kcal/mol:	-102.0
Dipole, Da:	7.73
IP(EA), eV:	-9.61(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-(5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N

DOS

IR

Vibrations