Geometry & MOs

Info

ID:	30689
PubChem CID:	841730
Reduced:	OSN3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-36.48
Dipole, Da:	5.84
IP(EA), eV:	-9.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,4R)-3-(pentan-3-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2CCC(CC2)C(C)(C)C

DOS

IR

Vibrations