Geometry & MOs

Info

ID:	305685
PubChem CID:	124965544
Reduced:	N3O4C26H35 (1)
Stoich.:	A3B4C26D35 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-141.15
Dipole, Da:	3.98
IP(EA), eV:	-8.92(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-[(3S)-3-[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C[C@@]12C[C@H](C[C@@](O1)(CC[C@H]([C@@H]2O)N(C)C)[C@@H](CNC(=O)C3=CN=CC=C3)O)C4=CC=CC=C4

DOS

IR

Vibrations