Geometry & MOs

Info

ID:	59248
PubChem CID:	24775828
Reduced:	O3N8C23H26 (1)
Stoich.:	A3B8C23D26 (1)
Weight, g/mol:	421.186238
ΔH_f, kcal/mol:	27.94
Dipole, Da:	9.83
IP(EA), eV:	-8.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[3-[(3-methoxy-5-methylphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CNC2=NC=CC(=N2)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)C(=O)NC

DOS

IR

Vibrations