Geometry & MOs

Info

ID:	346069
PubChem CID:	127270557
Reduced:	O3N4C20H36 (1)
Stoich.:	A3B4C20D36 (1)
Weight, g/mol:	285.205242
ΔH_f, kcal/mol:	-164.23
Dipole, Da:	1.38
IP(EA), eV:	-9.07(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC(=O)N2CCN(CC2)C(=O)C3CCCCC3)C

DOS

IR

Vibrations