Geometry & MOs

Info

ID:	288533
PubChem CID:	104318955
Reduced:	BrNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-126.78
Dipole, Da:	2.77
IP(EA), eV:	-8.91(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxybutyl 4-amino-3-methylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations