Geometry & MOs

Info

ID:	448195
PubChem CID:	135289152
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	554.186652
ΔH_f, kcal/mol:	-57.15
Dipole, Da:	4.12
IP(EA), eV:	-8.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluoro-5-hydroxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CCN(C1C[C@@H]2CN(C[C@H]2C1)C(=O)OC(C)(C)C)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations