Geometry & MOs

Info

ID:	180063
PubChem CID:	76570630
Reduced:	OF3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	562.199189
ΔH_f, kcal/mol:	-171.86
Dipole, Da:	3.57
IP(EA), eV:	-9.33(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)-1,2,3,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1CNN2C1=NC(CC2C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations