Geometry & MOs

Info

ID:	448154
PubChem CID:	135288877
Reduced:	N7H21C22 (1)
Stoich.:	A7B21C22 (1)
Weight, g/mol:	504.209616
ΔH_f, kcal/mol:	170.86
Dipole, Da:	8.53
IP(EA), eV:	-7.93(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-(5-methylthiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CNN=C6)NN4)/C=C32

DOS

IR

Vibrations