Geometry & MOs

Info

ID:	80960
PubChem CID:	49854128
Reduced:	F2O2N5H15C16 (1)
Stoich.:	A2B2C5D15E16 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-95.69
Dipole, Da:	4.18
IP(EA), eV:	-9.59(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)N=C(N2)CC3=NC4=C(N3)C=C(C=C4F)F

DOS

IR

Vibrations