Geometry & MOs

Info

ID:	243319
PubChem CID:	99218312
Reduced:	N3O6C23H25 (1)
Stoich.:	A3B6C23D25 (1)
Weight, g/mol:	439.185569
ΔH_f, kcal/mol:	-161.22
Dipole, Da:	4.28
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CN(CC(=O)OC)C(=O)CCC2=NN=C(O2)C3=CC=CC=C3)OC

DOS

IR

Vibrations