Geometry & MOs

Info

ID:	404496
PubChem CID:	135066555
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-64.85
Dipole, Da:	5.61
IP(EA), eV:	-8.12(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-butylpyrrol-1-yl)pentanoate

Drug info:

PubChemData

Smile

C/C=C/C[C@@H]1[C@H]2CCCCN2C(=O)N1C3=CC=C(C=C3)OC

DOS

IR

Vibrations