Geometry & MOs

Info

ID:	49740
PubChem CID:	11533698
Reduced:	N2H34C35 (1)
Stoich.:	A2B34C35 (1)
Weight, g/mol:	519.241645
ΔH_f, kcal/mol:	129.48
Dipole, Da:	2.51
IP(EA), eV:	-8.89(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1H-indazol-4-yl)-6-[[4-[1-(methoxymethyl)cyclopropyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

Drug info:

PubChemData

Smile

C1CN(CCC1=C(C2=CC=CC=C2)C3=CC=CC=C3)CCCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations