Geometry & MOs

Info

ID:	167614
PubChem CID:	74847649
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	525.295119
ΔH_f, kcal/mol:	-29.15
Dipole, Da:	2.21
IP(EA), eV:	-8.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(C)(C)N1CC2=C(C1=O)NC3CC(NN3C2=O)C4=CC=CC=C4

DOS

IR

Vibrations