Geometry & MOs

Info

ID:	121001
PubChem CID:	50752988
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-14.89
Dipole, Da:	5.7
IP(EA), eV:	-8.93(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-3-(5-methyl-7-oxo-2-phenyl-4-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=NC(=N2)C3=CC=CC=C3)N1C)CCC(=O)N4CCCCC4

DOS

IR

Vibrations