Geometry & MOs

Info

ID:	309748
PubChem CID:	126556993
Reduced:	FON7H24C28 (1)
Stoich.:	ABC7D24E28 (1)
Weight, g/mol:	541.191403
ΔH_f, kcal/mol:	129.42
Dipole, Da:	1.01
IP(EA), eV:	-8.65(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-(3-fluoro-5-methoxyphenyl)-2-[5-(5-phenylmethoxypyridin-3-yl)-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CN(C)CCOC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC=CC=C6F)/NN3

DOS

IR

Vibrations