Geometry & MOs

Info

ID:	183894
PubChem CID:	77087747
Reduced:	FN2O2H21C22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	-63.75
Dipole, Da:	5.36
IP(EA), eV:	-9.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(furan-3-ylmethyl)-2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1C(=O)N(CCO)CC2=CC=CC=C2F)C3=CC=CC=C3

DOS

IR

Vibrations