Geometry & MOs

Info

ID:	435033
PubChem CID:	135178087
Reduced:	FON5H18C24 (1)
Stoich.:	ABC5D18E24 (1)
Weight, g/mol:	497.158071
ΔH_f, kcal/mol:	61.29
Dipole, Da:	5.85
IP(EA), eV:	-8.54(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-8-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)NC2=CC=CC3=C2C=CC(=N3)C4=CN(N=N4)C5=CC=C(C=C5)O

DOS

IR

Vibrations