Geometry & MOs

Info

ID:	369532
PubChem CID:	127334313
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	14.27
Dipole, Da:	1.22
IP(EA), eV:	-8.59(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C)(C)CNC(=O)C2=NC=CC(=C2)N3C=CC=N3

DOS

IR

Vibrations