Geometry & MOs

Info

ID:	435489
PubChem CID:	135191609
Reduced:	O3N4C30H32 (1)
Stoich.:	A3B4C30D32 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-27.25
Dipole, Da:	5.19
IP(EA), eV:	-8.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-5-(cycloheptylamino)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC2CCCC2)NC3=C(C(=O)/C(=C/C4=CNC5=C4C=CC=N5)/O3)C(=O)C6CCC6

DOS

IR

Vibrations