Geometry & MOs

Info

ID:	286605
PubChem CID:	104179418
Reduced:	ClN2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	247.139471
ΔH_f, kcal/mol:	-2.14
Dipole, Da:	1.75
IP(EA), eV:	-8.51(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-(2-prop-2-enylsulfanylethyl)cyclobutan-1-amine

Drug info:

PubChemData

Smile

CN1CCC(CC1)CCNC2CC(C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations