Geometry & MOs

Info

ID:	217259
PubChem CID:	85087513
Reduced:	N3O5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	-163.17
Dipole, Da:	2.34
IP(EA), eV:	-9.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyclohexyl-6-(2-phenylethenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COCC1C(CC(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations