Geometry & MOs

Info

ID:	27543
PubChem CID:	821905
Reduced:	ON7H15C17 (1)
Stoich.:	AB7C15D17 (1)
Weight, g/mol:	249.086189
ΔH_f, kcal/mol:	128.28
Dipole, Da:	2.45
IP(EA), eV:	-8.98(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxy-3-nitrophenyl)methyl]-5-methyltetrazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=NN4C=CC=NC4=N3

DOS

IR

Vibrations