Geometry & MOs

Info

ID:	426876
PubChem CID:	135154293
Reduced:	FO3N4H29C32 (1)
Stoich.:	AB3C4D29E32 (1)
Weight, g/mol:	339.180758
ΔH_f, kcal/mol:	-38.8
Dipole, Da:	5.94
IP(EA), eV:	-9.15(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[4-methoxy-3-[4-(methylaminomethyl)pyrazol-1-yl]phenyl]-4-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)F)C(=O)C2=C(C=CC(=C2)CN3C(=O)C(N=C3N)(C4=CC=CC=C4)C5=CC=CC=C5)OC

DOS

IR

Vibrations