Geometry & MOs

Info

ID:	266095
PubChem CID:	103558393
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-130.36
Dipole, Da:	3.78
IP(EA), eV:	-9.32(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)azepan-1-yl]-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)N2CCOCC2CN

DOS

IR

Vibrations