Geometry & MOs

Info

ID:	319573
PubChem CID:	126656667
Reduced:	NH27C33 (1)
Stoich.:	AB27C33 (1)
Weight, g/mol:	352.156532
ΔH_f, kcal/mol:	107.98
Dipole, Da:	1.5
IP(EA), eV:	-7.99(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-[methyl-[3-methyl-7-[methyl(methylphosphanyl)amino]benzimidazol-5-yl]amino]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=C(C=CC(=C4)C5=CC=CC=C5)C6=CC=CC=C6)C

DOS

IR

Vibrations