Geometry & MOs

Info

ID:	120998
PubChem CID:	50752940
Reduced:	Cl2O2N5H17C21 (1)
Stoich.:	A2B2C5D17E21 (1)
Weight, g/mol:	437.125467
ΔH_f, kcal/mol:	23.22
Dipole, Da:	3.41
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(N=C2N=C(NN2C1=O)N(CC3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations