Geometry & MOs

Info

ID:	330348
PubChem CID:	127247335
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	21.75
Dipole, Da:	2.34
IP(EA), eV:	-8.28(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-chromen-3-yl-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations