Geometry & MOs

Info

ID:	70672
PubChem CID:	48413700
Reduced:	BrN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-73.17
Dipole, Da:	3.22
IP(EA), eV:	-8.78(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)C3=CC(=CN3)Br

DOS

IR

Vibrations