Geometry & MOs

Info

ID:	250020
PubChem CID:	103093600
Reduced:	NC4H7 (3)
Stoich.:	AB4C7 (3)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	28.92
Dipole, Da:	2.86
IP(EA), eV:	-8.77(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C)C(=CC1=CN(N=C1)C)C

DOS

IR

Vibrations