Geometry & MOs

Info

ID:	270521
PubChem CID:	103636990
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	342.09429
ΔH_f, kcal/mol:	-80.8
Dipole, Da:	5.38
IP(EA), eV:	-8.76(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNCCC2=CC=CC=C2OC)O

DOS

IR

Vibrations