Geometry & MOs

Info

ID:	448251
PubChem CID:	135289619
Reduced:	FON6H21C26 (1)
Stoich.:	ABC6D21E26 (1)
Weight, g/mol:	526.157581
ΔH_f, kcal/mol:	99.44
Dipole, Da:	10.32
IP(EA), eV:	-8.39(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-N-[5-[(3Z)-3-(4-thiophen-2-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OC

DOS

IR

Vibrations