Geometry & MOs

Info

ID:	237051
PubChem CID:	92717067
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-39.3
Dipole, Da:	4.27
IP(EA), eV:	-8.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C1=NC2=CC=CC=C2N1CCCOC3=CC=CC(=C3)C)O

DOS

IR

Vibrations