Geometry & MOs

Info

ID:	167167
PubChem CID:	74790212
Reduced:	O2N5C23H28 (1)
Stoich.:	A2B5C23D28 (1)
Weight, g/mol:	409.271585
ΔH_f, kcal/mol:	16.82
Dipole, Da:	14.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.984014
Charge, e:	1

Chem-info

IUPAC name:

1-(3,5-dimethylpyrazol-1-yl)propan-2-yl-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium

Drug info:

PubChemData

Smile

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3CCOC3)CC4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations