Geometry & MOs

Info

ID:	120890
PubChem CID:	50749023
Reduced:	O4N5H19C20 (1)
Stoich.:	A4B5C19D20 (1)
Weight, g/mol:	371.17461
ΔH_f, kcal/mol:	-26.08
Dipole, Da:	1.79
IP(EA), eV:	-8.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-methyl-N-phenylbenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC2=NC3=NC(=CC(=O)N3N2)C)C(=O)C4=CC=CO4

DOS

IR

Vibrations