Geometry & MOs

Info

ID:	313975
PubChem CID:	126619301
Reduced:	ISH9C13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	163.1361
ΔH_f, kcal/mol:	57.68
Dipole, Da:	2.03
IP(EA), eV:	-8.53(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methylmethanamine;prop-2-enylbenzene

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=C2C=C(C=C3)I

DOS

IR

Vibrations