Geometry & MOs

Info

ID:	203736
PubChem CID:	79863234
Reduced:	BrNSO2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	164.094963
ΔH_f, kcal/mol:	-68.33
Dipole, Da:	6.32
IP(EA), eV:	-9.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-5,6-dihydro-1H-cyclopenta[d]imidazole-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1(CCC(C1N)S(=O)(=O)C2=CC=CC=C2Br)C

DOS

IR

Vibrations