Geometry & MOs

Info

ID:	77354
PubChem CID:	48426243
Reduced:	ClN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-82.83
Dipole, Da:	2.26
IP(EA), eV:	-9.35(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)/C=C/C1=CC(=C(C=C1)C)Cl

DOS

IR

Vibrations