Geometry & MOs

Info

ID:	271179
PubChem CID:	103646806
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-159.36
Dipole, Da:	4.34
IP(EA), eV:	-9.48(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)NC2(CCOCC2)CO

DOS

IR

Vibrations