Geometry & MOs

Info

ID:	342943
PubChem CID:	127266106
Reduced:	N2O2F3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-212.55
Dipole, Da:	5.6
IP(EA), eV:	-9.15(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(cyclopropylcarbamoyl)phenyl]methyl]-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC(=O)NN1CC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations