Geometry & MOs

Info

ID:	225794
PubChem CID:	87226127
Reduced:	NO3C13H16 (2)
Stoich.:	AB3C13D16 (2)
Weight, g/mol:	211.076392
ΔH_f, kcal/mol:	-141.69
Dipole, Da:	5.58
IP(EA), eV:	-8.66(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-chloro-4-(4-methoxyphenyl)but-3-en-1-amine

Drug info:

PubChemData

Smile

COC1C(=C(C(=CC1(C2=CC=CO2)OC)C=O)C3=CC=C(C=C3)N4CCNCC4CCO)OC

DOS

IR

Vibrations