Geometry & MOs

Info

ID:	441699
PubChem CID:	135241204
Reduced:	O2F3N7H18C21 (1)
Stoich.:	A2B3C7D18E21 (1)
Weight, g/mol:	399.183444
ΔH_f, kcal/mol:	-89.22
Dipole, Da:	6.45
IP(EA), eV:	-9.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(cyclopenten-1-yl)phenyl]methylamino]-2-phenylmethoxybenzoic acid

Drug info:

PubChemData

Smile

COCC1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC(=CC=C4)OC(F)(F)F)N

DOS

IR

Vibrations