Geometry & MOs

Info

ID:	242969
PubChem CID:	99214614
Reduced:	O2N4C27H34 (1)
Stoich.:	A2B4C27D34 (1)
Weight, g/mol:	390.151433
ΔH_f, kcal/mol:	-42.68
Dipole, Da:	2.68
IP(EA), eV:	-8.03(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(cyanomethyl)-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CC[C@@H](C2=O)C(=O)NC3=CC(=CC=C3)N4CCN(CC4)CC5CC5)C

DOS

IR

Vibrations