Geometry & MOs

Info

ID:	157919
PubChem CID:	56459011
Reduced:	N2O2C13H18 (2)
Stoich.:	A2B2C13D18 (2)
Weight, g/mol:	432.179755
ΔH_f, kcal/mol:	-153.25
Dipole, Da:	2.06
IP(EA), eV:	-8.59(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-(3-ethynylanilino)-2-oxoethyl]-methylcarbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC=C2C(=O)NCC3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations