Geometry & MOs

Info

ID:	71477
PubChem CID:	48414934
Reduced:	SN4O4C19H24 (1)
Stoich.:	AB4C4D19E24 (1)
Weight, g/mol:	283.14331
ΔH_f, kcal/mol:	-78.91
Dipole, Da:	5.89
IP(EA), eV:	-9.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

DOS

IR

Vibrations