Geometry & MOs

Info

ID:	18374
PubChem CID:	540036
Reduced:	N2O3C17H28 (1)
Stoich.:	A2B3C17D28 (1)
Weight, g/mol:	308.209993
ΔH_f, kcal/mol:	-167.2
Dipole, Da:	4.37
IP(EA), eV:	-9.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hexanoyl-1,2,2-trimethyl-5-oxopyrrol-3-yl)butanamide

Drug info:

PubChemData

Smile

CCCCCC(=O)C1=C(C(N(C1=O)C)(C)C)NC(=O)CCC

DOS

IR

Vibrations