Geometry & MOs

Info

ID:	368075
PubChem CID:	127327176
Reduced:	N3O3C22H39 (1)
Stoich.:	A3B3C22D39 (1)
Weight, g/mol:	269.199094
ΔH_f, kcal/mol:	-172.22
Dipole, Da:	2.24
IP(EA), eV:	-8.76(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN(CC1)C(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations