Geometry & MOs

Info

ID:	249783
PubChem CID:	103092063
Reduced:	NC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	239.071306
ΔH_f, kcal/mol:	55.03
Dipole, Da:	1.46
IP(EA), eV:	-8.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(7-chloro-1,3-benzodioxol-5-yl)-N-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=NC2=CC=CC=C2C=C1)NC

DOS

IR

Vibrations