Geometry & MOs

Info

ID:	216538
PubChem CID:	85086385
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-97.08
Dipole, Da:	3.71
IP(EA), eV:	-9.36(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[5-(diethylcarbamoyl)pyridin-2-yl]butanoate

Drug info:

PubChemData

Smile

CC(C=[N+](CC1=CC=CC=C1)[O-])NC(=O)OC(C)(C)C

DOS

IR

Vibrations