Geometry & MOs

Info

ID:	209422
PubChem CID:	80671208
Reduced:	BrNO2C17H28 (1)
Stoich.:	ABC2D17E28 (1)
Weight, g/mol:	368.93376
ΔH_f, kcal/mol:	-128.03
Dipole, Da:	4.32
IP(EA), eV:	-9.56(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-5-iodo-N-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(CC(COC)Br)C(=O)CC12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations