Geometry & MOs

Info

ID:	79538
PubChem CID:	49826096
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	403.125609
ΔH_f, kcal/mol:	-87.97
Dipole, Da:	9.54
IP(EA), eV:	-8.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(furan-2-yl)-2-methyl-5-methylidene-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)C(C(=O)N3O)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations