Geometry & MOs

Info

ID:	80993
PubChem CID:	49854233
Reduced:	NOC4H4 (4)
Stoich.:	ABC4D4 (4)
Weight, g/mol:	403.06439
ΔH_f, kcal/mol:	-78.84
Dipole, Da:	6.62
IP(EA), eV:	-9.5(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7-bromo-1-methylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)N=C(N2)CC3=NC4=C(C=CC=C4O3)O

DOS

IR

Vibrations