Geometry & MOs

Info

ID:	170453
PubChem CID:	75236335
Reduced:	O3N6C28H52 (1)
Stoich.:	A3B6C28D52 (1)
Weight, g/mol:	461.267842
ΔH_f, kcal/mol:	-194.59
Dipole, Da:	3.6
IP(EA), eV:	-9.29(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NC(CC1=CN=CN1)C(=O)N

DOS

IR

Vibrations