Geometry & MOs

Info

ID:	190004
PubChem CID:	77939557
Reduced:	S2N3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	228.162649
ΔH_f, kcal/mol:	-62.62
Dipole, Da:	6.11
IP(EA), eV:	-8.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-1,2,3,8-tetrahydro-2-benzazecin-1-amine

Drug info:

PubChemData

Smile

CC=C(C(=O)N)NC1=C(C=C(C=C1)C)N(C)S(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations