Geometry & MOs

Info

ID:	363177
PubChem CID:	127310216
Reduced:	N7C17H21 (1)
Stoich.:	A7B17C21 (1)
Weight, g/mol:	311.210996
ΔH_f, kcal/mol:	105.86
Dipole, Da:	7.93
IP(EA), eV:	-8.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-6-methyl-2-pyridin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC(=CN=C2)NC3CCCC4=C3C=NN4C)C

DOS

IR

Vibrations