Geometry & MOs

Info

ID:	342771
PubChem CID:	127265934
Reduced:	OF3N4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-144.25
Dipole, Da:	8.31
IP(EA), eV:	-8.82(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]ethyl]-4-methoxyphenol

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@@H](C(F)(F)F)O)NCC1=CN(N=C1C2=CN=CC=C2)C

DOS

IR

Vibrations