Geometry & MOs

Info

ID:	281090
PubChem CID:	103852894
Reduced:	BrNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	312.04734
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	4.66
IP(EA), eV:	-9.38(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCCC2=CC=CC=C2OC)Br

DOS

IR

Vibrations