Geometry & MOs

Info

ID:	195047
PubChem CID:	78627323
Reduced:	O2N5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	33.54
Dipole, Da:	5.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.928849
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)C(=O)NN=C(C)C3=CC(=C(C=C3)OC)C[NH+]4CCCCC4

DOS

IR

Vibrations