Geometry & MOs

Info

ID:	435480
PubChem CID:	135191585
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-33.07
Dipole, Da:	7.79
IP(EA), eV:	-8.31(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-5-(cyclohexylamino)-4-[1-(3-hydroxypropoxy)ethenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-one

Drug info:

PubChemData

Smile

COCCNC1=CC(=O)/C(=C/C2=CNC3=C2C=CC=N3)/OC1

DOS

IR

Vibrations