Geometry & MOs

Info

ID:	367004
PubChem CID:	127322610
Reduced:	N2O2C17H26 (1)
Stoich.:	A2B2C17D26 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-105.63
Dipole, Da:	2.75
IP(EA), eV:	-8.99(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1C(=O)N2CCCC3(C2)CCC=CC3

DOS

IR

Vibrations