Geometry & MOs

Info

ID:	263102
PubChem CID:	103339571
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	313.06774
ΔH_f, kcal/mol:	-49.03
Dipole, Da:	4.52
IP(EA), eV:	-8.55(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=NC=C(C=C1)N(CCOC)CC=C)O

DOS

IR

Vibrations