Geometry & MOs

Info

ID:	332730
PubChem CID:	127251040
Reduced:	FO2N5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-37.53
Dipole, Da:	2.69
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]methyl]-1,3-dimethylbenzimidazol-2-one

Drug info:

PubChemData

Smile

CCN1C(=C2CCCCC2=N1)C(=O)N3CCOC(C3)C4=NC(=CN=C4)C5=CC=CC=C5F

DOS

IR

Vibrations