Geometry & MOs

Info

ID:	126170
PubChem CID:	50954376
Reduced:	SO2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	78.37
Dipole, Da:	2.43
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=CS2)CNCC3=NC(=NO3)C4=CC=CO4

DOS

IR

Vibrations