Geometry & MOs

Info

ID:	415917
PubChem CID:	135088919
Reduced:	FSN7O7C36H44 (1)
Stoich.:	ABC7D7E36F44 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-271.93
Dipole, Da:	10.15
IP(EA), eV:	-9.19(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-4-methylpyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)C4=C(C=CC(=C4)F)OC)C)C)C(C)C

DOS

IR

Vibrations