Geometry & MOs

Info

ID:	147139
PubChem CID:	53786792
Reduced:	N2C7H14 (1)
Stoich.:	A2B7C14 (1)
Weight, g/mol:	299.170771
ΔH_f, kcal/mol:	19.03
Dipole, Da:	2.68
IP(EA), eV:	-8.53(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R)-3-(benzylsulfanylmethyl)pentyl]aniline

Drug info:

PubChemData

Smile

C1CC=CCNCNC1

DOS

IR

Vibrations