Geometry & MOs

Info

ID:	366496
PubChem CID:	127319993
Reduced:	O2N7C20H29 (1)
Stoich.:	A2B7C20D29 (1)
Weight, g/mol:	376.176007
ΔH_f, kcal/mol:	-31.07
Dipole, Da:	2.97
IP(EA), eV:	-8.79(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C)C(=N1)N3CCN(CC3)C(=O)C4CCCN4C(=O)C(C)C

DOS

IR

Vibrations