Geometry & MOs

Info

ID:	343110
PubChem CID:	127266283
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	272.200097
ΔH_f, kcal/mol:	44.32
Dipole, Da:	6.17
IP(EA), eV:	-8.5(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(5-methylpyridin-2-yl)methanamine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNC2=CN3C(=NC(=N3)C)C=C2

DOS

IR

Vibrations