Geometry & MOs

Info

ID:	168720
PubChem CID:	75009561
Reduced:	ClON7C25H32 (1)
Stoich.:	ABC7D25E32 (1)
Weight, g/mol:	533.252621
ΔH_f, kcal/mol:	40.84
Dipole, Da:	9.9
IP(EA), eV:	-9.14(-0.75)
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-(trifluoromethyl)piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)NC(=O)NCC2CCCN(C2)CCC3=CC=C(C=C3)Cl)C4=NN=NN4C

DOS

IR

Vibrations