Geometry & MOs

Info

ID:	198833
PubChem CID:	79159421
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	282.241962
ΔH_f, kcal/mol:	-48.08
Dipole, Da:	2.95
IP(EA), eV:	-9.24(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-aminobutan-2-yl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)NC(C)C2=CC=C(C=C2)CN

DOS

IR

Vibrations