Geometry & MOs

Info

ID:	448965
PubChem CID:	135294857
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	433.272927
ΔH_f, kcal/mol:	-28.62
Dipole, Da:	7.59
IP(EA), eV:	-8.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-[3-[(5Z)-nona-1,5-dien-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C(=CN3CC4CCOCC4)C5=CC=C(C=C5)CC(=O)N)N=C2

DOS

IR

Vibrations