Geometry & MOs

Info

ID:	366492
PubChem CID:	127319989
Reduced:	ON8C18H24 (1)
Stoich.:	AB8C18D24 (1)
Weight, g/mol:	382.157581
ΔH_f, kcal/mol:	59.23
Dipole, Da:	1.23
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropylthiophen-2-yl)-[4-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCC(=O)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C)C

DOS

IR

Vibrations