Geometry & MOs

Info

ID:	230096
PubChem CID:	87570152
Reduced:	ClSO2N3C18H20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	311.093773
ΔH_f, kcal/mol:	-50.9
Dipole, Da:	1.48
IP(EA), eV:	-8.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-phenylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)N1)SC(=C2C3=CC(=NC=C3)Cl)N4CCOCC4)C

DOS

IR

Vibrations