Geometry & MOs

Info

ID:	213768
PubChem CID:	81064936
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-128.17
Dipole, Da:	2.67
IP(EA), eV:	-9.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations