Geometry & MOs

Info

ID:	435495
PubChem CID:	135191615
Reduced:	N3C26H31 (1)
Stoich.:	A3B26C31 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	116.76
Dipole, Da:	2.11
IP(EA), eV:	-7.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-5-(3,3-dimethylpiperidin-1-yl)-4-(2-methylpropanoyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-one

Drug info:

PubChemData

Smile

CCC/C(=C/CC)/C\1=C(C/C(=C\C2=CNC3=C2C=CC=N3)/C1=C\CC)NCC#C

DOS

IR

Vibrations