Geometry & MOs

Info

ID:	122042
PubChem CID:	50790836
Reduced:	ON4H20C23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	69.92
Dipole, Da:	4.23
IP(EA), eV:	-8.77(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NC2=C(C(=NN12)C)C3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations