Geometry & MOs

Info

ID:	222333
PubChem CID:	85296974
Reduced:	NO6C20H31 (1)
Stoich.:	AB6C20D31 (1)
Weight, g/mol:	381.287909
ΔH_f, kcal/mol:	-259.14
Dipole, Da:	4.42
IP(EA), eV:	-9.92(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(1-hydroxytridecyl)-5-oxo-2H-pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1C(C(OC1(C)C)CC#C)C2C(OC(O2)(C)C)C3COC(O3)(C)C

DOS

IR

Vibrations