Geometry & MOs

Info

ID:	45462
PubChem CID:	10513784
Reduced:	S3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	196.193949
ΔH_f, kcal/mol:	-19.68
Dipole, Da:	5.63
IP(EA), eV:	-8.83(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexan-3-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine

Drug info:

PubChemData

Smile

CC12CC3(CC1(CC(C2)(S3)S)C)S

DOS

IR

Vibrations