Geometry & MOs

Info

ID:	336180
PubChem CID:	127255187
Reduced:	OSN7C19H23 (1)
Stoich.:	ABC7D19E23 (1)
Weight, g/mol:	327.096754
ΔH_f, kcal/mol:	77.31
Dipole, Da:	6.6
IP(EA), eV:	-9.35(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-[2-(2-methyltetrazol-5-yl)phenyl]-4-oxopyran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)NC2CCN(CC2)CC3=CN=CC=C3)N4C=NN=N4)C

DOS

IR

Vibrations