Geometry & MOs

Info

ID:	325228
PubChem CID:	126682151
Reduced:	N3C13H29 (1)
Stoich.:	A3B13C29 (1)
Weight, g/mol:	181.146664
ΔH_f, kcal/mol:	-22.18
Dipole, Da:	1.28
IP(EA), eV:	-8.1(2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,4R)-4-tert-butyloxan-2-yl]acetonitrile

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)CCN(C)C(C)C

DOS

IR

Vibrations