Geometry & MOs

Info

ID:	288532
PubChem CID:	104318946
Reduced:	ON2C14H24 (1)
Stoich.:	AB2C14D24 (1)
Weight, g/mol:	287.01571
ΔH_f, kcal/mol:	-49.13
Dipole, Da:	3.55
IP(EA), eV:	-8.35(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxybutyl 3-amino-4-bromobenzoate

Drug info:

PubChemData

Smile

CC(CCN1C=C2CCCCC(C2=C1)NC)O

DOS

IR

Vibrations