Geometry & MOs

Info

ID:	446636
PubChem CID:	135276541
Reduced:	FO3N7C26H34 (1)
Stoich.:	AB3C7D26E34 (1)
Weight, g/mol:	490.269239
ΔH_f, kcal/mol:	-97.83
Dipole, Da:	4.03
IP(EA), eV:	-8.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2CCN(CC2F)C3CCOC3)NC4=CC(=NC(=N4)OC)N5CCNC(=O)C5)C=N

DOS

IR

Vibrations