Geometry & MOs

Info

ID:	80989
PubChem CID:	49854226
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	361.135031
ΔH_f, kcal/mol:	-73.31
Dipole, Da:	8.07
IP(EA), eV:	-9.13(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(C2=CC=CC=C12)C(=O)CC3=NC(=O)C=C(N3)N4CCOCC4

DOS

IR

Vibrations