Geometry & MOs

Info

ID:	54997
PubChem CID:	17389640
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	-33.5
Dipole, Da:	4.74
IP(EA), eV:	-10.19(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(C2CCCCC2)[N+]#[C-]

DOS

IR

Vibrations