Geometry & MOs

Info

ID:	145008
PubChem CID:	53448001
Reduced:	Cl2N3O3C15H17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-102.65
Dipole, Da:	3.33
IP(EA), eV:	-9.05(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-(4-ethoxyphenyl)-4-thiophen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1C(C(NN1)C)C(=O)CC2(C3=C(C=C(C=C3Cl)Cl)NC2=O)O

DOS

IR

Vibrations