Geometry & MOs

Info

ID:	29735
PubChem CID:	836796
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-164.33
Dipole, Da:	4.82
IP(EA), eV:	-9.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-(3-methylbutyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)O[C@@H]2CCCC[C@H]2O

DOS

IR

Vibrations