Geometry & MOs

Info

ID:	309747
PubChem CID:	126556970
Reduced:	IO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	493.202637
ΔH_f, kcal/mol:	-121.05
Dipole, Da:	2.53
IP(EA), eV:	-8.68(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(3Z)-3-[4-(2-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]oxy-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CCC(C)(C(=O)OC1=CC=C(C=C1)OC2(CCCC2)C)I

DOS

IR

Vibrations