Geometry & MOs

Info

ID:	172075
PubChem CID:	75463185
Reduced:	SO2N5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	351.144373
ΔH_f, kcal/mol:	7.28
Dipole, Da:	4.7
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)C(=O)CCC(=O)NC3=CC=C(C=C3)C4=NC=NN4

DOS

IR

Vibrations