Geometry & MOs

Info

ID:	80961
PubChem CID:	49854130
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	407.03932
ΔH_f, kcal/mol:	-21.66
Dipole, Da:	6.55
IP(EA), eV:	-9.1(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3=CC=CC=C3N=C2CC4=NC(=O)C=C(N4)N5CCOCC5

DOS

IR

Vibrations