Geometry & MOs

Info

ID:	296410
PubChem CID:	117572352
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	200.152478
ΔH_f, kcal/mol:	-93.15
Dipole, Da:	1.64
IP(EA), eV:	-7.96(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-methylpiperazin-1-yl)methyl]oxetan-3-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NCC2(CC2)C(=O)OC

DOS

IR

Vibrations