Geometry & MOs

Info

ID:	148833
PubChem CID:	53788502
Reduced:	NPO5C8H16 (1)
Stoich.:	ABC5D8E16 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-265.48
Dipole, Da:	5.47
IP(EA), eV:	-9.14(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-butanoyl-6-hydroxy-3-[1-hydroxy-2-(methylamino)ethyl]phenyl] butanoate

Drug info:

PubChemData

Smile

CN(C)C=C(C(=O)OC)P(=O)(OC)OC

DOS

IR

Vibrations