Geometry & MOs

Info

ID:	31545
PubChem CID:	855854
Reduced:	O2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	323.138225
ΔH_f, kcal/mol:	45.26
Dipole, Da:	1.18
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations