Geometry & MOs

Info

ID:	367660
PubChem CID:	127325189
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-101.45
Dipole, Da:	5.35
IP(EA), eV:	-9.57(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCC(CC1)NC(=O)NC2CCCCC2)C3=CN=CC=C3

DOS

IR

Vibrations