Geometry & MOs

Info

ID:	249971
PubChem CID:	103093213
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	11.99
Dipole, Da:	6.3
IP(EA), eV:	-9.21(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-ethoxy-2-methoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=CC(=C(C=C1)Br)[N+](=O)[O-])/C

DOS

IR

Vibrations