Geometry & MOs

Info

ID:	247770
PubChem CID:	103073196
Reduced:	NSC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	185.123821
ΔH_f, kcal/mol:	24.64
Dipole, Da:	3.55
IP(EA), eV:	-8.65(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

C=C(CN1CCCCC2=CC=CC=C21)CS

DOS

IR

Vibrations