Geometry & MOs

Info

ID:	189948
PubChem CID:	77930544
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	463.25834
ΔH_f, kcal/mol:	10.31
Dipole, Da:	9.33
IP(EA), eV:	-7.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[[amino(methyl)amino]methylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C2CCC3NC(=CN3N2)N)C=CC1=O

DOS

IR

Vibrations