Geometry & MOs

Info

ID:	202758
PubChem CID:	79721589
Reduced:	BrN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	328.04226
ΔH_f, kcal/mol:	-89.22
Dipole, Da:	2.65
IP(EA), eV:	-8.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-4-bromobenzoyl)-butan-2-ylamino]acetic acid

Drug info:

PubChemData

Smile

CC(C)CCOCCNC(=O)C1=C(C=C(C=C1)Br)N

DOS

IR

Vibrations