Geometry & MOs

Info

ID:	286139
PubChem CID:	104154603
Reduced:	BrN4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	272.200097
ΔH_f, kcal/mol:	46.33
Dipole, Da:	2.01
IP(EA), eV:	-8.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyl-6-imidazol-1-ylpyridin-4-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC(=CC(=N2)C(C)C)CN)C)Br

DOS

IR

Vibrations