Geometry & MOs

Info

ID:	49321
PubChem CID:	11532822
Reduced:	ON2F6H20C24 (1)
Stoich.:	AB2C6D20E24 (1)
Weight, g/mol:	466.273262
ΔH_f, kcal/mol:	-277.94
Dipole, Da:	5.94
IP(EA), eV:	-8.48(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3CCN(C=C3)CC4=CC=CC=C4

DOS

IR

Vibrations