Geometry & MOs

Info

ID:	246472
PubChem CID:	103059765
Reduced:	SN7C9H11 (1)
Stoich.:	AB7C9D11 (1)
Weight, g/mol:	281.246713
ΔH_f, kcal/mol:	143.53
Dipole, Da:	7.79
IP(EA), eV:	-9.3(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethyloxan-4-amine

Drug info:

PubChemData

Smile

C1CC1N2C(=NN=N2)SCC3=CN=C(C=N3)N

DOS

IR

Vibrations