Geometry & MOs

Info

ID:	347929
PubChem CID:	127272991
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	267.231063
ΔH_f, kcal/mol:	-159.03
Dipole, Da:	5.16
IP(EA), eV:	-8.56(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)C2CC(=O)N(C2)CCN3CCOCC3)C

DOS

IR

Vibrations