Geometry & MOs

Info

ID:	152865
PubChem CID:	56311944
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-92.55
Dipole, Da:	6.79
IP(EA), eV:	-7.91(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=C(C=C2)N3CCCCC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations