Geometry & MOs

Info

ID:	270576
PubChem CID:	103637161
Reduced:	BrSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	328.07864
ΔH_f, kcal/mol:	35.28
Dipole, Da:	6.74
IP(EA), eV:	-9.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations