Geometry & MOs

Info

ID:	84322
PubChem CID:	49865765
Reduced:	Cl2N2O7C27H30 (1)
Stoich.:	A2B2C7D27E30 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-280.41
Dipole, Da:	4.72
IP(EA), eV:	-9.13(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]triazole

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@H]2[C@@H](OCO2)C(=O)N[C@@H](CC3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)C(=O)O

DOS

IR

Vibrations