Geometry & MOs

Info

ID:	287840
PubChem CID:	104296312
Reduced:	BrNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	327.01062
ΔH_f, kcal/mol:	-142.55
Dipole, Da:	3.53
IP(EA), eV:	-9.7(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-3-methylbenzoyl)morpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC[C@@H](CC(C)C)CC(=O)O)Br

DOS

IR

Vibrations