Geometry & MOs

Info

ID:	209348
PubChem CID:	80657118
Reduced:	ClN5C13H20 (1)
Stoich.:	AB5C13D20 (1)
Weight, g/mol:	254.129824
ΔH_f, kcal/mol:	50.24
Dipole, Da:	3.12
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-methylpiperidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)CN2CC(C2)N3CCNCC3)Cl

DOS

IR

Vibrations