Geometry & MOs

Info

ID:	283763
PubChem CID:	104004586
Reduced:	N3O5C13H21 (1)
Stoich.:	A3B5C13D21 (1)
Weight, g/mol:	235.139471
ΔH_f, kcal/mol:	-212.53
Dipole, Da:	3.41
IP(EA), eV:	-9.89(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethylphenyl)sulfanylethyl]cyclobutanamine

Drug info:

PubChemData

Smile

C1CC1C2C(CCO2)NC(=O)NC(CCC(=O)N)C(=O)O

DOS

IR

Vibrations