Geometry & MOs

Info

ID:	448253
PubChem CID:	135289624
Reduced:	O2N7H27C30 (1)
Stoich.:	A2B7C27D30 (1)
Weight, g/mol:	411.151767
ΔH_f, kcal/mol:	107.97
Dipole, Da:	11.55
IP(EA), eV:	-8.36(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-(5-methylthiophen-2-yl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

C1CNCCC1CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=COC=C7

DOS

IR

Vibrations