Geometry & MOs

Info

ID:	309000
PubChem CID:	126533892
Reduced:	N2H4C5 (5)
Stoich.:	A2B4C5 (5)
Weight, g/mol:	451.212058
ΔH_f, kcal/mol:	253.15
Dipole, Da:	7.28
IP(EA), eV:	-8.89(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-[5-[(3E)-3-pyrrolo[3,2-b]pyridin-2-ylidene-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1C(CN1C2=NC(=CN=C2)C3=CC\4=C(NN/C4=C/5\C=C6C(=CN=CC6=N5)C7=CC=NC=C7)N=C3)N

DOS

IR

Vibrations