Geometry & MOs

Info

ID:	448248
PubChem CID:	135289606
Reduced:	FN10C32H33 (1)
Stoich.:	AB10C32D33 (1)
Weight, g/mol:	473.196408
ΔH_f, kcal/mol:	176.44
Dipole, Da:	4.3
IP(EA), eV:	-8.57(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=C6)CN7CCCC7)NN4)/N=C23)F

DOS

IR

Vibrations