Geometry & MOs

Info

ID:	33033
PubChem CID:	7850431
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	411.190654
ΔH_f, kcal/mol:	-52.73
Dipole, Da:	1.61
IP(EA), eV:	-8.5(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)OC)OC

DOS

IR

Vibrations