Geometry & MOs

Info

ID:	419480
PubChem CID:	135108263
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-106.86
Dipole, Da:	4.86
IP(EA), eV:	-8.53(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-3-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC(CO)NC(=O)C1=C(ON=C1N2CCCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations