Geometry & MOs

Info

ID:	125260
PubChem CID:	50917433
Reduced:	N3C11H12 (2)
Stoich.:	A3B11C12 (2)
Weight, g/mol:	387.180758
ΔH_f, kcal/mol:	92.63
Dipole, Da:	5.3
IP(EA), eV:	-8.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(cyanomethoxy)-4-(4-methylimidazol-1-yl)anilino]-2-(propan-2-ylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=C(C=C2)NC3=NC(=C(C=C3)C#N)NC4CCCCC4

DOS

IR

Vibrations