Geometry & MOs

Info

ID:	363040
PubChem CID:	127310071
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-37.79
Dipole, Da:	1.4
IP(EA), eV:	-8.9(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]urea

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1)N2CCN(CC2)C(=O)CC3CCC4=CC=CC=C4C3

DOS

IR

Vibrations