Geometry & MOs

Info

ID:	148396
PubChem CID:	53788058
Reduced:	I3N3O5C16H16 (1)
Stoich.:	A3B3C5D16E16 (1)
Weight, g/mol:	330.146724
ΔH_f, kcal/mol:	-128.05
Dipole, Da:	6.43
IP(EA), eV:	-8.56(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[(2,3-dimethoxyphenyl)methoxy]benzoate

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)N2CCC[C@H]2C(=O)NC)I

DOS

IR

Vibrations