Geometry & MOs

Info

ID:	444494
PubChem CID:	135262627
Reduced:	BrF2N3O4C21H22 (1)
Stoich.:	AB2C3D4E21F22 (1)
Weight, g/mol:	492.284889
ΔH_f, kcal/mol:	-198.98
Dipole, Da:	4.75
IP(EA), eV:	-9.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-4-[2-methyl-6-[5-methyl-6-[2-methyl-1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC(=C(C=C1F)F)Br)C2=NC=C(N=C2)[C@H]3C[C@@H]3C(=O)OC

DOS

IR

Vibrations