Geometry & MOs

Info

ID:	28752
PubChem CID:	829362
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	325.103811
ΔH_f, kcal/mol:	11.33
Dipole, Da:	4.16
IP(EA), eV:	-9.59(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)NC(=O)/C=C/C1=CC=CC=C1

DOS

IR

Vibrations