Geometry & MOs

Info

ID:	208215
PubChem CID:	80504076
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	227.199762
ΔH_f, kcal/mol:	-34.51
Dipole, Da:	4.38
IP(EA), eV:	-8.71(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-1-(oxan-3-ylmethyl)piperazin-2-yl]methanamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NCC2=CN=CC=C2)N

DOS

IR

Vibrations