Geometry & MOs

Info

ID:	309807
PubChem CID:	126560087
Reduced:	INOS3C14H20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	481.16848
ΔH_f, kcal/mol:	-17.58
Dipole, Da:	1.77
IP(EA), eV:	-8.85(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[5-[(3E)-3-(4-thiophen-2-ylbenzimidazol-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]oxyethanamine

Drug info:

PubChemData

Smile

C1COCCN1CCSSCC2=CC=CC=C2CSI

DOS

IR

Vibrations