Geometry & MOs

Info

ID:	122790
PubChem CID:	50821633
Reduced:	ClN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	471.22704
ΔH_f, kcal/mol:	-77.5
Dipole, Da:	2.08
IP(EA), eV:	-8.98(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations