Geometry & MOs

Info

ID:	258475
PubChem CID:	103154329
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	245.173942
ΔH_f, kcal/mol:	-121.76
Dipole, Da:	4.34
IP(EA), eV:	-9.49(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methoxybutan-1-one

Drug info:

PubChemData

Smile

COC(CC(=O)NCC1CCCCC1)CN

DOS

IR

Vibrations