Geometry & MOs

Info

ID:	80278
PubChem CID:	49833815
Reduced:	SO4N6F7H33C35 (1)
Stoich.:	AB4C6D7E33F35 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-420.08
Dipole, Da:	6.9
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dimethoxynaphthalen-2-yl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC(=NC(=N3)N4CCN(CC4)CC5=CC=CC=C5OC(F)(F)F)C6=CC=C(C=C6)C(F)(F)F

DOS

IR

Vibrations