Geometry & MOs

Info

ID:	277036
PubChem CID:	103826382
Reduced:	BrClN2O2C14H18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	318.96108
ΔH_f, kcal/mol:	-70.55
Dipole, Da:	2.98
IP(EA), eV:	-8.93(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

C1COCCN1CCCNC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations