Geometry & MOs

Info

ID:	368031
PubChem CID:	127326627
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	393.252861
ΔH_f, kcal/mol:	-41.38
Dipole, Da:	3.69
IP(EA), eV:	-8.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2=CC=C(C=C2)NC(=O)N(C)CC3CCCOC3

DOS

IR

Vibrations