Geometry & MOs

Info

ID:	448151
PubChem CID:	135288858
Reduced:	N5O6C35H36 (1)
Stoich.:	A5B6C35D36 (1)
Weight, g/mol:	379.118158
ΔH_f, kcal/mol:	-129.09
Dipole, Da:	7.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.929349
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-(furan-3-yl)-2-(5-pyridin-3-yl-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(CC/C(=C/[N+]#N)/O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations