Geometry & MOs

Info

ID:	391594
PubChem CID:	135006793
Reduced:	NO3C16H20 (2)
Stoich.:	AB3C16D20 (2)
Weight, g/mol:	402.153934
ΔH_f, kcal/mol:	-174.34
Dipole, Da:	3.35
IP(EA), eV:	-9.09(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@](C(C1=CC2=CC=CC=C2C=C1)NC(=O)OC(C)(C)C)(C(=O)OC3=C(C=CC=C3C(C)C)C(C)C)[N+](=O)[O-]

DOS

IR

Vibrations