Geometry & MOs

Info

ID:	198475
PubChem CID:	79105664
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-82.96
Dipole, Da:	1.01
IP(EA), eV:	-9.12(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetylpyrrol-1-yl)-N-(3-methylbutan-2-yl)acetamide

Drug info:

PubChemData

Smile

CCC(C1=CN(C=C1)CC(=O)NC2CCOCC2)N

DOS

IR

Vibrations