Geometry & MOs

Info

ID:	216084
PubChem CID:	85085686
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-125.88
Dipole, Da:	2.69
IP(EA), eV:	-9.47(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-tert-butyl-3-formyl-4H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)NC(CCC1=CC=CC=C1)CO

DOS

IR

Vibrations