Geometry & MOs

Info

ID:	372110
PubChem CID:	131293296
Reduced:	ON5C9H11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	24.58
Dipole, Da:	6.78
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(1,4-dimethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=O)N(N1)C2=NC(=NC(=C2)N)C

DOS

IR

Vibrations