Geometry & MOs

Info

ID:	426870
PubChem CID:	135154281
Reduced:	O2N7C16H19 (1)
Stoich.:	A2B7C16D19 (1)
Weight, g/mol:	344.115237
ΔH_f, kcal/mol:	35.65
Dipole, Da:	6.72
IP(EA), eV:	-8.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC(=C(C=C2)OC)N3C=C(N=N3)CO)NC

DOS

IR

Vibrations