Geometry & MOs

Info

ID:	182816
PubChem CID:	76940347
Reduced:	N3C14H17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	72.59
Dipole, Da:	4.94
IP(EA), eV:	-9.26(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfonyl-N-(3-phenylprop-2-enyl)propan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CCNCCN2C=CN=C2

DOS

IR

Vibrations