Geometry & MOs

Info

ID:	429906
PubChem CID:	135169960
Reduced:	O2F3N9H16C23 (1)
Stoich.:	A2B3C9D16E23 (1)
Weight, g/mol:	255.052302
ΔH_f, kcal/mol:	-7.32
Dipole, Da:	7.12
IP(EA), eV:	-8.47(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(5-amino-3-chloropyridin-2-yl)-1,2-dihydrotriazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=NC=CC2=C1C=CC=C2N3C(=C(C=N3)C(=O)NC4=CC(=C(NC4)N5N=CC=N5)C#N)C(F)(F)F

DOS

IR

Vibrations