Geometry & MOs

Info

ID:	214141
PubChem CID:	81087005
Reduced:	ON3C15H31 (1)
Stoich.:	AB3C15D31 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-83.7
Dipole, Da:	4.06
IP(EA), eV:	-8.74(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC(C)N(C)CC1CCN(CC1)C(=O)CC(C)CN

DOS

IR

Vibrations