Geometry & MOs

Info

ID:	391487
PubChem CID:	135005757
Reduced:	N4O5C18H20 (1)
Stoich.:	A4B5C18D20 (1)
Weight, g/mol:	409.095997
ΔH_f, kcal/mol:	-106.76
Dipole, Da:	6.75
IP(EA), eV:	-10.06(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-3-(2,4-dichlorophenyl)-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N=CNC3=O)O

DOS

IR

Vibrations