Geometry & MOs

Info

ID:	435475
PubChem CID:	135191574
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-115.79
Dipole, Da:	6.02
IP(EA), eV:	-8.41(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-2-[(4-hydroxycyclohexyl)amino]-4-oxofuran-3-carbaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)C/C(=C(\NC1CCCCC1)/O/C(=C\C2=CNC3=C2C=CC=N3)/C)/C=O

DOS

IR

Vibrations