Geometry & MOs

Info

ID:	388192
PubChem CID:	134988494
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	206.08777
ΔH_f, kcal/mol:	-150.47
Dipole, Da:	4.1
IP(EA), eV:	-9.24(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-pyridin-2-ylsulfanyl-3,4,5,6-tetrahydro-2H-azepine

Drug info:

PubChemData

Smile

CC1(CC2(CCCCO2)NC1)C(=O)OC

DOS

IR

Vibrations