Geometry & MOs

Info

ID:	325538
PubChem CID:	126683850
Reduced:	NO3C32H33 (1)
Stoich.:	AB3C32D33 (1)
Weight, g/mol:	479.246044
ΔH_f, kcal/mol:	-69.25
Dipole, Da:	5.48
IP(EA), eV:	-8.75(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-methyl-5-[(2R,4S)-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C(=O)O)[C@H]2C[C@H](OC3=CC=CC=C23)CCN[C@H](C)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations