Geometry & MOs

Info

ID:	320867
PubChem CID:	126663962
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	451.155036
ΔH_f, kcal/mol:	-58.64
Dipole, Da:	2.76
IP(EA), eV:	-8.53(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 3-chloro-2-methyl-4-[[methyl(1-oxopropan-2-yl)amino]methyl]-6-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

CC(=O)OCC1CC2=C(C=CC2)C=C1

DOS

IR

Vibrations