Geometry & MOs

Info

ID:	126346
PubChem CID:	50961107
Reduced:	ON5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	65.78
Dipole, Da:	5.62
IP(EA), eV:	-9.3(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC1(C(=O)N=C2N1C=CC=C2)CC3=NC(=NN3)CCC4=CC=CC=C4

DOS

IR

Vibrations