Geometry & MOs

Info

ID:	295594
PubChem CID:	117535841
Reduced:	ClO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-79.07
Dipole, Da:	4.01
IP(EA), eV:	-8.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-hydroxy-1-(4-methylphenyl)propyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C(=O)C)Cl)OC

DOS

IR

Vibrations