Geometry & MOs

Info

ID:	443891
PubChem CID:	135260307
Reduced:	N2O5C26H50 (1)
Stoich.:	A2B5C26D50 (1)
Weight, g/mol:	506.290643
ΔH_f, kcal/mol:	-274.61
Dipole, Da:	3.23
IP(EA), eV:	-9.31(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-N-[[5-[(3E)-3-(4-piperidin-1-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methyl]methanamine

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCCN(CCN(CC(=O)O)CC(=O)O)CCO

DOS

IR

Vibrations