Geometry & MOs

Info

ID:	348476
PubChem CID:	127273587
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	316.164774
ΔH_f, kcal/mol:	-17.2
Dipole, Da:	2.66
IP(EA), eV:	-8.86(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2C1NC(=O)CN3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations