Geometry & MOs

Info

ID:	266102
PubChem CID:	103558402
Reduced:	N2O3C8H12 (1)
Stoich.:	A2B3C8D12 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-91.2
Dipole, Da:	3.74
IP(EA), eV:	-9.91(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-2-chlorophenyl)-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

COC1(CCC1)CC2=NNC(=O)O2

DOS

IR

Vibrations