Geometry & MOs

Info

ID:	353261
PubChem CID:	127284441
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	386.152495
ΔH_f, kcal/mol:	-112.02
Dipole, Da:	2.57
IP(EA), eV:	-8.8(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-[2-oxo-2-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCN1CCCCC1C(=O)N2CCCOC(C2)C

DOS

IR

Vibrations