Geometry & MOs

Info

ID:	1696
PubChem CID:	4887
Reduced:	O4N5H23C27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	481.175004
ΔH_f, kcal/mol:	9.52
Dipole, Da:	7.23
IP(EA), eV:	-8.91(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5

DOS

IR

Vibrations