Geometry & MOs

Info

ID:	217185
PubChem CID:	85087393
Reduced:	ClO6C16H17 (1)
Stoich.:	AB6C16D17 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	-235.13
Dipole, Da:	2.03
IP(EA), eV:	-8.99(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-azido-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C=CO1)C2=C(C=CC(=C2)Cl)O)OC(=O)C

DOS

IR

Vibrations