Geometry & MOs

Info

ID:	172444
PubChem CID:	75511686
Reduced:	BrN5C17H22 (1)
Stoich.:	AB5C17D22 (1)
Weight, g/mol:	321.195346
ΔH_f, kcal/mol:	54.07
Dipole, Da:	0.85
IP(EA), eV:	-8.63(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-pyrazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=NC=C(C=C3)Br

DOS

IR

Vibrations