Geometry & MOs

Info

ID:	151850
PubChem CID:	56310668
Reduced:	FO2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	478.294391
ΔH_f, kcal/mol:	-60.15
Dipole, Da:	5.67
IP(EA), eV:	-8.23(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=C3C(=C(C=C2)F)C=CC=N3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations