Geometry & MOs

Info

ID:	426621
PubChem CID:	135153005
Reduced:	N2H20C21 (1)
Stoich.:	A2B20C21 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	69.71
Dipole, Da:	4.6
IP(EA), eV:	-9.13(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-[(5-cyanopyridin-2-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]ethoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C2CC(N=C(C2=CC=C1)C3=CC4=C(C=C3)N=CC=C4)(C)C

DOS

IR

Vibrations