Geometry & MOs

Info

ID:	265975
PubChem CID:	103557209
Reduced:	NO3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	283.214744
ΔH_f, kcal/mol:	-165.48
Dipole, Da:	5.68
IP(EA), eV:	-9.24(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)N2CCCCC2C3CCCC3O

DOS

IR

Vibrations