Geometry & MOs

Info

ID:	8808
PubChem CID:	81781
Reduced:	NO3C27H45 (1)
Stoich.:	AB3C27D45 (1)
Weight, g/mol:	431.339944
ΔH_f, kcal/mol:	-193.37
Dipole, Da:	6.13
IP(EA), eV:	-9.41(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(octadecylcarbamoyl)benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)C(=O)OC

DOS

IR

Vibrations