Geometry & MOs

Info

ID:	57627
PubChem CID:	22427015
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	453.254003
ΔH_f, kcal/mol:	-25.11
Dipole, Da:	3.41
IP(EA), eV:	-8.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-ethylpiperidin-1-yl)propyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NCC3=CC=CC=N3)N4CCN(CC4)C

DOS

IR

Vibrations