Geometry & MOs

Info

ID:	36042
PubChem CID:	7980692
Reduced:	N2O3H16C21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-33.48
Dipole, Da:	2.29
IP(EA), eV:	-9.31(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations