Geometry & MOs

Info

ID:	67851
PubChem CID:	46507298
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	358.142976
ΔH_f, kcal/mol:	58.19
Dipole, Da:	1.53
IP(EA), eV:	-8.78(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyanilino)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN3C=CN=C(C3=C2C=O)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations