Geometry & MOs

Info

ID:	31674
PubChem CID:	856006
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	270.090546
ΔH_f, kcal/mol:	-34.36
Dipole, Da:	2.95
IP(EA), eV:	-8.57(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyren-1-yltetrazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CNCC2=CC=CO2

DOS

IR

Vibrations