Geometry & MOs

Info

ID:	72679
PubChem CID:	48416430
Reduced:	O4N5C19H29 (1)
Stoich.:	A4B5C19D29 (1)
Weight, g/mol:	371.206973
ΔH_f, kcal/mol:	-187.55
Dipole, Da:	4.56
IP(EA), eV:	-9.46(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)N3CCCC(C3)N4CCNC4=O

DOS

IR

Vibrations