Geometry & MOs

Info

ID:	326467
PubChem CID:	126687620
Reduced:	SN2C10H22 (1)
Stoich.:	AB2C10D22 (1)
Weight, g/mol:	335.156454
ΔH_f, kcal/mol:	-14.54
Dipole, Da:	4.33
IP(EA), eV:	-8.1(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7E,9E)-2-chloro-9-fluoro-8-[(E)-1-(2-methyl-5-methylidene-1,4-dihydroimidazol-4-yl)but-2-en-2-yl]-3,4,5,6-tetrahydroazecine

Drug info:

PubChemData

Smile

CC1[C@@H](CCC[C@@H]1N(C)C)NSC

DOS

IR

Vibrations