Geometry & MOs

Info

ID:	139379
PubChem CID:	52520200
Reduced:	BrO2N3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	382.260686
ΔH_f, kcal/mol:	-79.54
Dipole, Da:	2.51
IP(EA), eV:	-9.15(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-N,N-dimethyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)Br)N2CCN(CC2)C(=O)C(C)C

DOS

IR

Vibrations