Geometry & MOs

Info

ID:	286804
PubChem CID:	104222462
Reduced:	ClN5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	203.117095
ΔH_f, kcal/mol:	93.76
Dipole, Da:	4.81
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC=C(C=N2)CNC3CC3)C)Cl

DOS

IR

Vibrations