Geometry & MOs

Info

ID:	285778
PubChem CID:	104131048
Reduced:	N2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	284.124881
ΔH_f, kcal/mol:	70.71
Dipole, Da:	3.42
IP(EA), eV:	-8.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)N2C=CC(=N2)C3CC3)CNC(C)C

DOS

IR

Vibrations