Geometry & MOs

Info

ID:	212098
PubChem CID:	81059496
Reduced:	BrNSO5C12H16 (1)
Stoich.:	ABCD5E12F16 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	-180.57
Dipole, Da:	5.75
IP(EA), eV:	-9.9(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyethyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

DOS

IR

Vibrations