Geometry & MOs

Info

ID:	249797
PubChem CID:	103092182
Reduced:	NOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	261.073198
ΔH_f, kcal/mol:	-12.05
Dipole, Da:	0.79
IP(EA), eV:	-8.57(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C/C(C)NC

DOS

IR

Vibrations