Geometry & MOs

Info

ID:	351532
PubChem CID:	127280420
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	385.222623
ΔH_f, kcal/mol:	-149.72
Dipole, Da:	4.31
IP(EA), eV:	-9.08(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations