Geometry & MOs

Info

ID:	348480
PubChem CID:	127273591
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	322.146347
ΔH_f, kcal/mol:	-20.43
Dipole, Da:	3.7
IP(EA), eV:	-8.86(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC(=O)N2CCCN3C2=CC=N3

DOS

IR

Vibrations