Geometry & MOs

Info

ID:	353335
PubChem CID:	127284664
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-117.64
Dipole, Da:	7.35
IP(EA), eV:	-9.4(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-tert-butylpyrrolidin-1-yl)-(1,4-dioxan-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN1C(=O)C2CC(=O)N(C2)C

DOS

IR

Vibrations