Geometry & MOs

Info

ID:	85100
PubChem CID:	49871722
Reduced:	SiO4C16H32 (1)
Stoich.:	AB4C16D32 (1)
Weight, g/mol:	375.125073
ΔH_f, kcal/mol:	-237.97
Dipole, Da:	2.5
IP(EA), eV:	-8.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-6-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@H](CC[C@H](/C=C/C=O)OCOC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations