Geometry & MOs

Info

ID:	249887
PubChem CID:	103092680
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	8.28
Dipole, Da:	7.21
IP(EA), eV:	-9.22(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-bromo-4,5-dimethoxyphenyl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations