Geometry & MOs

Info

ID:	209403
PubChem CID:	80666193
Reduced:	BrNO2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	347.02877
ΔH_f, kcal/mol:	-125.11
Dipole, Da:	2.96
IP(EA), eV:	-9.08(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)N(CCBr)C(=O)CCC1CCCO1

DOS

IR

Vibrations