Geometry & MOs

Info

ID:	190082
PubChem CID:	77951299
Reduced:	ClO2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	474.302848
ΔH_f, kcal/mol:	31.69
Dipole, Da:	3.15
IP(EA), eV:	-10.1(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(ethylamino)-3,3-dimethyl-4-oxobut-1-enyl]-N-(5-ethyl-2-bicyclo[5.2.0]nonanyl)-5-propan-2-ylsulfanylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(C=NC1=O)CCCC2=CN=CC=C2)OC3=CC(=CC(=C3)C#N)Cl

DOS

IR

Vibrations