Geometry & MOs

Info

ID:	353965
PubChem CID:	127285605
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-148.79
Dipole, Da:	4.02
IP(EA), eV:	-8.78(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations