Geometry & MOs

Info

ID:	245070
PubChem CID:	99437364
Reduced:	ON6H20C21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	368.094312
ΔH_f, kcal/mol:	78.14
Dipole, Da:	8.41
IP(EA), eV:	-8.92(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[(3-cyanothiophen-2-yl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)C4=CN5C=CN=C5C=C4

DOS

IR

Vibrations