Geometry & MOs

Info

ID:	412571
PubChem CID:	135085468
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-78.72
Dipole, Da:	2.55
IP(EA), eV:	-9.3(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-pent-1-ynyl-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)CCC(=O)N(C)OC

DOS

IR

Vibrations