Geometry & MOs

Info

ID:	186954
PubChem CID:	77508162
Reduced:	F4O5N6C27H32 (1)
Stoich.:	A4B5C6D27E32 (1)
Weight, g/mol:	436.197377
ΔH_f, kcal/mol:	-396.01
Dipole, Da:	7.26
IP(EA), eV:	-9.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3,5-difluoro-2-(2-fluoro-5-methylphenyl)phenyl]-4-hydroxy-4-piperidin-3-ylbutyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC(=O)N1CC(C2=CN=C(N=C2C1)C3=CC=NC=C3)C(F)(F)F)CN4C(C(CCC4=O)F)O

DOS

IR

Vibrations