Geometry & MOs

Info

ID:	76358
PubChem CID:	48424827
Reduced:	FO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	367.07831
ΔH_f, kcal/mol:	-71.24
Dipole, Da:	3.44
IP(EA), eV:	-9.18(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-bromophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=C(C=C2)CNC(=O)C(C)OCC3CC3)F

DOS

IR

Vibrations