Geometry & MOs

Info

ID:	447127
PubChem CID:	135280513
Reduced:	ClO4N5C37H46 (1)
Stoich.:	AB4C5D37E46 (1)
Weight, g/mol:	409.19026
ΔH_f, kcal/mol:	-136.18
Dipole, Da:	8.48
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylpiperidin-4-yl)indole-3-carbonitrile

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)C(=O)C=C)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC(=C(C=C4)CN5CCOCC5)Cl

DOS

IR

Vibrations