Geometry & MOs

Info

ID:	298725
PubChem CID:	117654687
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	322.06776
ΔH_f, kcal/mol:	-107.57
Dipole, Da:	5.25
IP(EA), eV:	-10.06(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@]1(CCCC(=O)C1)CCCC=O

DOS

IR

Vibrations