Geometry & MOs

Info

ID:	435356
PubChem CID:	135191278
Reduced:	SO5C21H40 (1)
Stoich.:	AB5C21D40 (1)
Weight, g/mol:	363.180758
ΔH_f, kcal/mol:	-287.37
Dipole, Da:	3.71
IP(EA), eV:	-9.28(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-8-amino-3-benzyl-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methylidene-1,9-dihydro-1,3,5,7-tetrazonin-2-one

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)SOC

DOS

IR

Vibrations