Geometry & MOs

Info

ID:	286780
PubChem CID:	104222366
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	69.92
Dipole, Da:	4.46
IP(EA), eV:	-9.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=C(C=N2)CNC(C)C)C

DOS

IR

Vibrations