Geometry & MOs

Info

ID:	139973
PubChem CID:	52625041
Reduced:	ClN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	317.259289
ΔH_f, kcal/mol:	-96.29
Dipole, Da:	3.47
IP(EA), eV:	-8.28(0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methyl-[(1R)-1-(4-methylphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC(=CC=C1)Cl)CC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

DOS

IR

Vibrations