Geometry & MOs

Info

ID:	184581
PubChem CID:	77179005
Reduced:	SiO4C17H32 (1)
Stoich.:	AB4C17D32 (1)
Weight, g/mol:	613.298823
ΔH_f, kcal/mol:	-270.67
Dipole, Da:	4.67
IP(EA), eV:	-9.05(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[5-[(6-ethylpyridazin-3-yl)-piperidin-4-ylmethoxy]pyrimidin-2-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OCC1C(CC2C1CC(=O)O2)O

DOS

IR

Vibrations