Geometry & MOs

Info

ID:	126944
PubChem CID:	50984752
Reduced:	ClO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-35.05
Dipole, Da:	3.02
IP(EA), eV:	-9.13(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)butanediamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1N=CN2)C(=O)C3(CCNCC3)OC4=CC=C(C=C4)Cl

DOS

IR

Vibrations