Geometry & MOs

Info

ID:	265469
PubChem CID:	103523816
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	343.11469
ΔH_f, kcal/mol:	-31.27
Dipole, Da:	3.55
IP(EA), eV:	-8.91(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2,4-dimethoxyphenyl)-N-ethylhexan-3-amine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=CCNC2)OC)Br

DOS

IR

Vibrations