Geometry & MOs

Info

ID:	394652
PubChem CID:	135023406
Reduced:	O3C22H28 (1)
Stoich.:	A3B22C28 (1)
Weight, g/mol:	450.109483
ΔH_f, kcal/mol:	-123.2
Dipole, Da:	3.26
IP(EA), eV:	-9.28(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 7-(4-chlorophenyl)-8-cyano-2-phenyl-1,2,3,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5,6-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)OCCC(C)COCC2=CC=CC=C2)C

DOS

IR

Vibrations