Geometry & MOs

Info

ID:	29637
PubChem CID:	835951
Reduced:	NO3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-57.7
Dipole, Da:	3.19
IP(EA), eV:	-8.72(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(3-methylbutyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OCC(=O)NC3=CC=CC=C3O

DOS

IR

Vibrations