Geometry & MOs

Info

ID:	252790
PubChem CID:	103114156
Reduced:	O2N3C10H19 (1)
Stoich.:	A2B3C10D19 (1)
Weight, g/mol:	293.097583
ΔH_f, kcal/mol:	-106.32
Dipole, Da:	1.92
IP(EA), eV:	-9.08(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-[(2,3-difluorophenyl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1CCCNC1=O

DOS

IR

Vibrations