Geometry & MOs

Info

ID:	351580
PubChem CID:	127280472
Reduced:	O3N5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	371.206973
ΔH_f, kcal/mol:	-102.41
Dipole, Da:	6.89
IP(EA), eV:	-9.19(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN=C1C)C(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations