Geometry & MOs

Info

ID:	446630
PubChem CID:	135276508
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	510.251002
ΔH_f, kcal/mol:	-14.94
Dipole, Da:	3.11
IP(EA), eV:	-8.25(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]propan-2-ol

Drug info:

PubChemData

Smile

C/C=C\C(=C)CN(CCOC)C(=C)C

DOS

IR

Vibrations