Geometry & MOs

Info

ID:	21847
PubChem CID:	592209
Reduced:	NO5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	309.157623
ΔH_f, kcal/mol:	-221.58
Dipole, Da:	5.64
IP(EA), eV:	-8.75(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-acetamido-3-[3-(hydroxymethyl)-4-methoxyphenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(CC1=CC(=C(C=C1)OC)CO)NC(=O)C

DOS

IR

Vibrations