Geometry & MOs

Info

ID:	274195
PubChem CID:	103807673
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	423.96472
ΔH_f, kcal/mol:	-27.94
Dipole, Da:	4.28
IP(EA), eV:	-9.11(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2,2-dimethylpropyl)-5-bromo-2-iodo-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(=O)N(C)C2CCC(CC2)N

DOS

IR

Vibrations