Geometry & MOs

Info

ID:	190507
PubChem CID:	78013501
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	528.09213
ΔH_f, kcal/mol:	62.84
Dipole, Da:	8.04
IP(EA), eV:	-8.88(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)cyclohexene-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)CCOC)C2=NC(=C(C=C2C#N)C3=CC=CC4=NON=C43)C5CC5

DOS

IR

Vibrations