Geometry & MOs

Info

ID:	173530
PubChem CID:	75649301
Reduced:	N4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	112.09
Dipole, Da:	6.55
IP(EA), eV:	-9.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-ethoxy-3-methoxyphenyl)-5-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2CC(=NC3=NC=NN23)C4=CC=CC=C4

DOS

IR

Vibrations