Geometry & MOs

Info

ID:	183134
PubChem CID:	76981931
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	257.173942
ΔH_f, kcal/mol:	-135.75
Dipole, Da:	4.73
IP(EA), eV:	-9.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=CC(=O)N2CCC(C2)C(=O)O

DOS

IR

Vibrations