Geometry & MOs

Info

ID:	441097
PubChem CID:	135233109
Reduced:	NO6C17H25 (1)
Stoich.:	AB6C17D25 (1)
Weight, g/mol:	322.116486
ΔH_f, kcal/mol:	-249.63
Dipole, Da:	5.63
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-(4-nitroso-6-oxo-5-propanoylpyran-2-yl)pent-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCC(=O)/C(=C(/C=C(/C(C)CC/C=C/NC(=O)OC)\OC=O)\O)/C

DOS

IR

Vibrations