Geometry & MOs

Info

ID:	77284
PubChem CID:	48426017
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-95.22
Dipole, Da:	3.67
IP(EA), eV:	-9.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[2-(diethylamino)-2-oxoethyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CC1=C(OC(=N1)C2=CC=CC=C2)C

DOS

IR

Vibrations