Geometry & MOs

Info

ID:	187727
PubChem CID:	77615894
Reduced:	SN5O5C30H37 (1)
Stoich.:	AB5C5D30E37 (1)
Weight, g/mol:	356.23246
ΔH_f, kcal/mol:	-146.9
Dipole, Da:	8.78
IP(EA), eV:	-9.07(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(7-propan-2-yl-3,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(=O)N2CC3CN(CC3C2)CCC(C4=CC=CC=C4)NC(=O)OC5=CC=C(N5C)S(=O)(=O)N

DOS

IR

Vibrations