Geometry & MOs

Info

ID:	353109
PubChem CID:	127284289
Reduced:	O3N4C16H16 (1)
Stoich.:	A3B4C16D16 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-56.08
Dipole, Da:	5.26
IP(EA), eV:	-9.23(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)N3CCC4=C(C3)C=NN4

DOS

IR

Vibrations