Geometry & MOs

Info

ID:	449010
PubChem CID:	135295176
Reduced:	NC17H25 (2)
Stoich.:	AB17C25 (2)
Weight, g/mol:	437.283098
ΔH_f, kcal/mol:	10.88
Dipole, Da:	2.21
IP(EA), eV:	-7.62(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(cyclohexylmethyl)-3-(2-methylidene-1,3-dihydroinden-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-4-methylpent-3-en-2-imine

Drug info:

PubChemData

Smile

C/C=C(\C=C\1/C(=C)C(C(=CN1CC2(CCCCC2)C)C)C3=CC=C(C=C3)CCN)/C(=C(C)C)C(C)C

DOS

IR

Vibrations