Geometry & MOs

Info

ID:	360342
PubChem CID:	127300985
Reduced:	FO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	374.268176
ΔH_f, kcal/mol:	-92.29
Dipole, Da:	3.04
IP(EA), eV:	-8.86(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CCN(C3=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations