Geometry & MOs

Info

ID:	69658
PubChem CID:	47205099
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	-66.68
Dipole, Da:	4.17
IP(EA), eV:	-8.65(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-(1H-pyrazol-5-ylmethylamino)butyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CC(=O)NCC2=CC=NN2)OC

DOS

IR

Vibrations