Geometry & MOs

Info

ID:	349775
PubChem CID:	127276167
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	268.215078
ΔH_f, kcal/mol:	-102.34
Dipole, Da:	3.12
IP(EA), eV:	-8.78(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butyl-1,4-diazepan-1-yl)-(oxan-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)C3CCCOC3

DOS

IR

Vibrations