Geometry & MOs

Info

ID:	263918
PubChem CID:	103407629
Reduced:	ClNOSC17H28 (1)
Stoich.:	ABCDE17F28 (1)
Weight, g/mol:	291.084849
ΔH_f, kcal/mol:	-75.89
Dipole, Da:	3.5
IP(EA), eV:	-8.94(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanamine

Drug info:

PubChemData

Smile

CCCNC(C1CC(OC1(C)C)(C)C)C2=C(C(=CS2)C)Cl

DOS

IR

Vibrations