Geometry & MOs

Info

ID:	266103
PubChem CID:	103558409
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	297.03644
ΔH_f, kcal/mol:	-69.4
Dipole, Da:	6.66
IP(EA), eV:	-9.06(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)C2=C(C=C(C=C2)N)Cl

DOS

IR

Vibrations