Geometry & MOs

Info

ID:	353002
PubChem CID:	127284123
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-51.79
Dipole, Da:	4.68
IP(EA), eV:	-8.57(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylfuro[3,2-b]pyridin-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)NC3CCN(CC3)C(C)C

DOS

IR

Vibrations