Geometry & MOs

Info

ID:	324035
PubChem CID:	126676795
Reduced:	N6H16C21 (1)
Stoich.:	A6B16C21 (1)
Weight, g/mol:	439.208276
ΔH_f, kcal/mol:	193.62
Dipole, Da:	3.92
IP(EA), eV:	-8.93(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1C2=CC=CC(=N2)C3=NN4C=CC=C4C(=N3)N5C=CC6=C5C=CN=C6

DOS

IR

Vibrations