Geometry & MOs

Info

ID:	126081
PubChem CID:	50950720
Reduced:	ON3H21C23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	72.16
Dipole, Da:	3.48
IP(EA), eV:	-8.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-5-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2=C(N=CN2CC3=CC=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations