Geometry & MOs

Info

ID:	262953
PubChem CID:	103331066
Reduced:	BrSN5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	301.136117
ΔH_f, kcal/mol:	80.12
Dipole, Da:	1.92
IP(EA), eV:	-8.49(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-propan-2-ylpyrazol-1-yl)-N-propylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)NC)N3C(=C(C(=N3)C)Br)C

DOS

IR

Vibrations