Geometry & MOs

Info

ID:	282703
PubChem CID:	103936655
Reduced:	ClSN2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	252.139326
ΔH_f, kcal/mol:	23.11
Dipole, Da:	3.22
IP(EA), eV:	-8.36(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-methylphenyl)-1-methylazepan-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NC(C)C2=CSC(=N2)C

DOS

IR

Vibrations