Geometry & MOs

Info

ID:	247213
PubChem CID:	103068777
Reduced:	N3C11H21 (1)
Stoich.:	A3B11C21 (1)
Weight, g/mol:	287.236148
ΔH_f, kcal/mol:	28.11
Dipole, Da:	3.6
IP(EA), eV:	-8.98(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N-ethylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CN(C)CCC#N

DOS

IR

Vibrations