Geometry & MOs

Info

ID:	73109
PubChem CID:	48417004
Reduced:	ClO2N4H9C13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	379.110296
ΔH_f, kcal/mol:	19.66
Dipole, Da:	2.06
IP(EA), eV:	-9.24(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1C(OC2=C1C=C(C=C2)Cl)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations