Geometry & MOs

Info

ID:	66270
PubChem CID:	46501242
Reduced:	ClN2O2C25H33 (1)
Stoich.:	AB2C2D25E33 (1)
Weight, g/mol:	422.293328
ΔH_f, kcal/mol:	-95.32
Dipole, Da:	5.19
IP(EA), eV:	-9.23(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-phenylpropanoylamino)-N-undecylbenzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations