Geometry & MOs

Info

ID:	158820
PubChem CID:	56479434
Reduced:	O3N4C27H30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	462.208947
ΔH_f, kcal/mol:	-65.27
Dipole, Da:	5.65
IP(EA), eV:	-8.28(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NCC2CCCN(C2)C(=O)C3=CC(=NC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations