Geometry & MOs

Info

ID:	123591
PubChem CID:	50854936
Reduced:	ON3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	7.83
Dipole, Da:	5.8
IP(EA), eV:	-8.61(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclohexylpyrrol-3-yl)-N-(6-methoxypyridin-3-yl)methanimine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)/C(=C/C2=CN(C=C2)C3CCCCC3)/C#N)C

DOS

IR

Vibrations