Geometry & MOs

Info

ID:	448254
PubChem CID:	135289634
Reduced:	SN5H21C24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	492.171002
ΔH_f, kcal/mol:	165.92
Dipole, Da:	7.29
IP(EA), eV:	-8.27(-1.82)
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]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CCNCC6)NN4)/C=C32

DOS

IR

Vibrations