Geometry & MOs

Info

ID:	207338
PubChem CID:	80381594
Reduced:	NF2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-185.7
Dipole, Da:	4.27
IP(EA), eV:	-9.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CO)NC(=O)CC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations