Geometry & MOs

Info

ID:	388450
PubChem CID:	134989201
Reduced:	ClOSN3C12H20 (1)
Stoich.:	ABCD3E12F20 (1)
Weight, g/mol:	197.120449
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	5.83
IP(EA), eV:	-9.31(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-2-methyl-3H-azepine

Drug info:

PubChemData

Smile

CCCCCSC1=NC(=NC(=N1)OCCCC)Cl

DOS

IR

Vibrations