Geometry & MOs

Info

ID:	449315
PubChem CID:	135297569
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	461.166331
ΔH_f, kcal/mol:	-74.3
Dipole, Da:	1.28
IP(EA), eV:	-9.67(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-[6-[(1S,8R)-5-(2,6-difluorophenyl)-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=NC(=N1)C(=O)OC)CC(C)(C)N2C=CC(=N2)CO

DOS

IR

Vibrations