Geometry & MOs

Info

ID:	179661
PubChem CID:	76518296
Reduced:	NO7H17C18 (1)
Stoich.:	AB7C17D18 (1)
Weight, g/mol:	373.165108
ΔH_f, kcal/mol:	-244.42
Dipole, Da:	1.93
IP(EA), eV:	-8.93(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]-phenylmethanol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=CC(=O)NC(CC(=O)O)C2=CC(=C(C=C2)O)O)O)O

DOS

IR

Vibrations