Geometry & MOs

Info

ID:	23544
PubChem CID:	604488
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-27.96
Dipole, Da:	3.34
IP(EA), eV:	-8.46(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-(3-anilino-1H-1,2,4-triazol-5-yl)propyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CCOC(=O)N(C)CCCC1=NC(=NN1)NC2=CC=CC=C2

DOS

IR

Vibrations