Geometry & MOs

Info

ID:	332949
PubChem CID:	127251373
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	-18.76
Dipole, Da:	4.01
IP(EA), eV:	-9.12(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[2-[2-[6-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CN(C)C)C3=CN=C(N=C3)N

DOS

IR

Vibrations