Geometry & MOs

Info

ID:	168719
PubChem CID:	75009265
Reduced:	NO4C29H33 (1)
Stoich.:	AB4C29D33 (1)
Weight, g/mol:	481.235686
ΔH_f, kcal/mol:	-114.53
Dipole, Da:	3.21
IP(EA), eV:	-8.3(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C(OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OCC(C)N4CCCC4)C5=CC=C(C=C5)O

DOS

IR

Vibrations