Geometry & MOs

Info

ID:	396314
PubChem CID:	135028049
Reduced:	O4H14C19 (1)
Stoich.:	A4B14C19 (1)
Weight, g/mol:	445.059611
ΔH_f, kcal/mol:	-88.62
Dipole, Da:	5.47
IP(EA), eV:	-9.13(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-[(E)-1,3-bis(4-chlorophenyl)prop-2-enyl]triazole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC3=C(C2=O)C(OC4=C3C=CC(=C4)O)C=C

DOS

IR

Vibrations