Geometry & MOs

Info

ID:	447120
PubChem CID:	135280431
Reduced:	O4N5C39H51 (1)
Stoich.:	A4B5C39D51 (1)
Weight, g/mol:	374.154289
ΔH_f, kcal/mol:	-134.46
Dipole, Da:	8.01
IP(EA), eV:	-8.8(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)C(=O)C=C)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCCC(C5)OC

DOS

IR

Vibrations