Geometry & MOs

Info

ID:	22110
PubChem CID:	596016
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	4.22
Dipole, Da:	3.38
IP(EA), eV:	-8.59(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NCCC3=CC=CC=C3)OC

DOS

IR

Vibrations