Geometry & MOs

Info

ID:	447959
PubChem CID:	135287148
Reduced:	ON9C27H31 (1)
Stoich.:	AB9C27D31 (1)
Weight, g/mol:	474.191657
ΔH_f, kcal/mol:	157.42
Dipole, Da:	2.68
IP(EA), eV:	-8.07(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3E)-3-(4-pyridin-3-ylpyrrolo[2,3-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)OCCN(C)C)/C=C23

DOS

IR

Vibrations