Geometry & MOs

Info

ID:	18269
PubChem CID:	539325
Reduced:	BN2O4C19H29 (1)
Stoich.:	AB2C4D19E29 (1)
Weight, g/mol:	360.222038
ΔH_f, kcal/mol:	-231.29
Dipole, Da:	10.47
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-acetyl-4-[(2-methyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]butanamide

Drug info:

PubChemData

Smile

B1(N(CC(O1)COC2=C(C=C(C=C2)NC(=O)CCC)C(=O)C)C(C)C)C

DOS

IR

Vibrations