Geometry & MOs

Info

ID:	63656
PubChem CID:	26758885
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	397.108086
ΔH_f, kcal/mol:	-107.97
Dipole, Da:	2.85
IP(EA), eV:	-8.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC3=CC=CC=C3C=C2OC

DOS

IR

Vibrations