Geometry & MOs

Info

ID:	151546
PubChem CID:	53837779
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-49.62
Dipole, Da:	2.33
IP(EA), eV:	-8.96(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-(1-pyridin-3-ylhexylideneamino)oxyethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid

Drug info:

PubChemData

Smile

CC[C@H](CN1CCCC1)C=O

DOS

IR

Vibrations