Geometry & MOs

Info

ID:	42928
PubChem CID:	10317211
Reduced:	OCl2N4H14C18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	372.03948
ΔH_f, kcal/mol:	34.53
Dipole, Da:	5.41
IP(EA), eV:	-8.84(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromospiro[2.5]octan-2-yl)methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1CC(=O)NN=C1C2=C3C(=CC=C2)NC(=N3)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations