Geometry & MOs

Info

ID:	65996
PubChem CID:	46484914
Reduced:	NO2C24H25 (1)
Stoich.:	AB2C24D25 (1)
Weight, g/mol:	407.141596
ΔH_f, kcal/mol:	-28.05
Dipole, Da:	5.05
IP(EA), eV:	-8.76(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3OC

DOS

IR

Vibrations