Geometry & MOs

Info

ID:	271822
PubChem CID:	103693198
Reduced:	BrNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-17.99
Dipole, Da:	5.08
IP(EA), eV:	-9.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[4-(bromomethyl)benzoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)C2=CC=C(C=C2)CBr

DOS

IR

Vibrations