Geometry & MOs

Info

ID:	426078
PubChem CID:	135136353
Reduced:	ClFON5C25H25 (1)
Stoich.:	ABCD5E25F25 (1)
Weight, g/mol:	157.092521
ΔH_f, kcal/mol:	-5.97
Dipole, Da:	3.07
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpiperidin-4-yl)ethenethiol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1CNC(=O)C2=CC(=NC=C2)CC3=C(C(=C(C=C3)N=C)/C=C(\C)/Cl)F)C)N

DOS

IR

Vibrations