Geometry & MOs

Info

ID:	207464
PubChem CID:	80399488
Reduced:	ClINC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	279.165686
ΔH_f, kcal/mol:	0.98
Dipole, Da:	4.37
IP(EA), eV:	-8.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-butoxyphenyl)methyl]-1-(thiolan-2-yl)methanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)CCNC2=C(C=C(C=C2)I)Cl

DOS

IR

Vibrations