Geometry & MOs

Info

ID:	368049
PubChem CID:	127327019
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-34.05
Dipole, Da:	10.34
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-cyclopropylpyridazin-3-yl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=NN=C(C=C3)C4CC4

DOS

IR

Vibrations