Geometry & MOs

Info

ID:	205565
PubChem CID:	80121103
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	163.040006
ΔH_f, kcal/mol:	-6.2
Dipole, Da:	3.72
IP(EA), eV:	-9.45(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(oxetan-3-yl)propanamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Br)NC2COC2

DOS

IR

Vibrations