Geometry & MOs

Info

ID:	427723
PubChem CID:	135161722
Reduced:	NSO5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-172.45
Dipole, Da:	4.62
IP(EA), eV:	-9.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-aminopentan-2-yloxy)-3-methyl-2-propan-2-ylbutanenitrile

Drug info:

PubChemData

Smile

CC12C[C@@H]1[C@](S(=O)(=O)C2=O)([C@H]([C@H]3CCCC=C3)O)C(=O)N

DOS

IR

Vibrations