Geometry & MOs

Info

ID:	23117
PubChem CID:	602058
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-150.51
Dipole, Da:	2.28
IP(EA), eV:	-8.93(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-(2-methyl-6-oxoheptan-2-yl)-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(N1)C(C)(C)CCCC(=O)C)C(=O)OC

DOS

IR

Vibrations