Geometry & MOs

Info

ID:	43459
PubChem CID:	10321330
Reduced:	BN4O5C22H35 (1)
Stoich.:	AB4C5D22E35 (1)
Weight, g/mol:	191.075373
ΔH_f, kcal/mol:	-225.9
Dipole, Da:	6.22
IP(EA), eV:	-8.6(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(prop-2-enoylamino)phenyl]boronic acid

Drug info:

PubChemData

Smile

B(C1=CC(=CC=C1)NC(=O)C=C)(O)O.CN(C)CCCNC(=O)C=C.CN(C)C(=O)C=C

DOS

IR

Vibrations