Geometry & MOs

Info

ID:	160376
PubChem CID:	57309724
Reduced:	SN4O4C26H36 (1)
Stoich.:	AB4C4D26E36 (1)
Weight, g/mol:	162.115698
ΔH_f, kcal/mol:	-143.63
Dipole, Da:	1.51
IP(EA), eV:	-9.01(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1,2,3,4-tetrahydronaphthalene-1,2-diamine

Drug info:

PubChemData

Smile

CC(C(=O)NCC1CCC(CC1)C(=O)OC)OC2=C(C=CC(=N2)C3=CC=CC=C3)NCC(CS)N

DOS

IR

Vibrations