Geometry & MOs

Info

ID:	243015
PubChem CID:	99215063
Reduced:	OF6N6H12C19 (1)
Stoich.:	AB6C6D12E19 (1)
Weight, g/mol:	423.288577
ΔH_f, kcal/mol:	-209.34
Dipole, Da:	5.42
IP(EA), eV:	-9.94(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-(4-methoxyphenyl)pentanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCC2=NN=C3N2C=C(C=C3)C(F)(F)F)N4C=CC(=N4)C(F)(F)F

DOS

IR

Vibrations