Geometry & MOs

Info

ID:	446004
PubChem CID:	135271261
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	356.163711
ΔH_f, kcal/mol:	-103.15
Dipole, Da:	4.89
IP(EA), eV:	-9.13(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(5-methyl-1H-indazol-4-yl)-1H-indol-6-yl]azetidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=N3)CC(=O)C(C)(C)COC(=O)C

DOS

IR

Vibrations