Geometry & MOs

Info

ID:	23325
PubChem CID:	603100
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	21.03
Dipole, Da:	4.52
IP(EA), eV:	-8.87(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[8-(dimethylamino)naphthalen-1-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=N1)C2=CC=CC3=C2C(=CC=C3)N(C)C

DOS

IR

Vibrations