Geometry & MOs

Info

ID:	150217
PubChem CID:	53789904
Reduced:	NOSCl2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	185.120449
ΔH_f, kcal/mol:	-5.21
Dipole, Da:	4.73
IP(EA), eV:	-8.91(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,4-tetrahydro-1H-phenalen-2-amine

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC=C1SC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations