Geometry & MOs

Info

ID:	435494
PubChem CID:	135191614
Reduced:	FN2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	385.251798
ΔH_f, kcal/mol:	-103.66
Dipole, Da:	8.48
IP(EA), eV:	-8.69(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,4E)-2-[(Z)-hept-3-en-4-yl]-3-propylidene-N-prop-2-ynyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)cyclopenten-1-amine

Drug info:

PubChemData

Smile

CC1NC2=C(N1C)C=C(C(=C2)C(=O)O)F

DOS

IR

Vibrations