Geometry & MOs

Info

ID:	360626
PubChem CID:	127301271
Reduced:	FO2N4C21H31 (1)
Stoich.:	AB2C4D21E31 (1)
Weight, g/mol:	390.274324
ΔH_f, kcal/mol:	-134.64
Dipole, Da:	5.73
IP(EA), eV:	-8.77(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)CC(=O)N3CCN(CC3)C)F

DOS

IR

Vibrations