Geometry & MOs

Info

ID:	309079
PubChem CID:	126536368
Reduced:	OCl2N2C8H10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	239.107692
ΔH_f, kcal/mol:	-17.87
Dipole, Da:	4.23
IP(EA), eV:	-10.02(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(2S)-3-ethoxy-2-methylbut-3-enyl]aniline

Drug info:

PubChemData

Smile

CCCC1=C(C(=NC(=N1)Cl)Cl)OC

DOS

IR

Vibrations