Geometry & MOs

Info

ID:	444997
PubChem CID:	135264175
Reduced:	ClOSN3C27H32 (1)
Stoich.:	ABCD3E27F32 (1)
Weight, g/mol:	230.178299
ΔH_f, kcal/mol:	85.92
Dipole, Da:	4.32
IP(EA), eV:	-8.28(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[1-[(3S)-piperidin-3-yl]ethenyl]aniline

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)CCCCN3C4C=CC=CC4SC5=C3C=C(C=C5)Cl

DOS

IR

Vibrations