Geometry & MOs

Info

ID:	122044
PubChem CID:	50790838
Reduced:	ON4C24H24 (1)
Stoich.:	AB4C24D24 (1)
Weight, g/mol:	482.27941
ΔH_f, kcal/mol:	49.41
Dipole, Da:	4.02
IP(EA), eV:	-8.75(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-benzylpiperazin-1-yl)propyl]-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)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations