Geometry & MOs

Info

ID:	167880
PubChem CID:	74889182
Reduced:	BN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	180.095774
ΔH_f, kcal/mol:	-141.68
Dipole, Da:	5.58
IP(EA), eV:	-9.19(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-hydroxypropyl)phenyl]boronic acid

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CN=C(C=C2)C(CC)N

DOS

IR

Vibrations