Geometry & MOs

Info

ID:	193400
PubChem CID:	78390007
Reduced:	ClNOH14C18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	458.167808
ΔH_f, kcal/mol:	27.09
Dipole, Da:	2.38
IP(EA), eV:	-9.01(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-1,2,3,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)C=C2C3=C(C=C(C=C3)Cl)NC2=O

DOS

IR

Vibrations