Geometry & MOs

Info

ID:	282393
PubChem CID:	103925144
Reduced:	N5C12H19 (1)
Stoich.:	A5B12C19 (1)
Weight, g/mol:	321.01312
ΔH_f, kcal/mol:	63.11
Dipole, Da:	5.19
IP(EA), eV:	-7.94(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-4-chlorophenyl)methylamino]-2-ethylpropane-1,3-diol

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC2=C(N(N=C2C)C)C

DOS

IR

Vibrations