Geometry & MOs

Info

ID:	59007
PubChem CID:	24770237
Reduced:	O7H16C21 (1)
Stoich.:	A7B16C21 (1)
Weight, g/mol:	163.084458
ΔH_f, kcal/mol:	-197.49
Dipole, Da:	8.68
IP(EA), eV:	-8.63(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(2,3-dihydroxypropyl)carbamate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC(=CC3=C2OC4=CC(=C(C=C43)OC)O)C(=O)O)O

DOS

IR

Vibrations