Geometry & MOs

Info

ID:	80152
PubChem CID:	49833266
Reduced:	SO4N8H26C31 (1)
Stoich.:	AB4C8D26E31 (1)
Weight, g/mol:	280.168797
ΔH_f, kcal/mol:	-0.47
Dipole, Da:	10.75
IP(EA), eV:	-9.07(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-naphthalen-2-yl-3-(triazol-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCNC(=O)NC1=NC=C(C(=C1)C2=NC(=CS2)C3=CC=CC=C3)C4=NC=C5C(=C4)C(=O)C(=CN5CC6=CN(C=N6)C)C(=O)O

DOS

IR

Vibrations