Geometry & MOs

Info

ID:	308695
PubChem CID:	126522391
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	392.149793
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	2.06
IP(EA), eV:	-8.26(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-(1-methylpyrazol-4-yl)-3-(4-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC=C2C3CCCC(C3)NC(=O)[C@@H]4CCCO4

DOS

IR

Vibrations