Geometry & MOs

Info

ID:	168721
PubChem CID:	75009562
Reduced:	OF4N7C26H31 (1)
Stoich.:	AB4C7D26E31 (1)
Weight, g/mol:	541.296537
ΔH_f, kcal/mol:	-156.51
Dipole, Da:	11.63
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[[1-[2-(4-fluorophenyl)ethyl]-4-phenylpiperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)NC(=O)NCC2CN(CCC2C(F)(F)F)CCC3=CC=C(C=C3)F)C4=NN=NN4C

DOS

IR

Vibrations