Geometry & MOs

Info

ID:	351527
PubChem CID:	127280415
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	357.191323
ΔH_f, kcal/mol:	-38.65
Dipole, Da:	2.59
IP(EA), eV:	-8.42(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(CC1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations