Geometry & MOs

Info

ID:	270454
PubChem CID:	103636669
Reduced:	BrNO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	259.077535
ΔH_f, kcal/mol:	-37.85
Dipole, Da:	4.93
IP(EA), eV:	-8.59(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)methyl]-2-propoxyacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)C(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations