Geometry & MOs

Info

ID:	435340
PubChem CID:	135191251
Reduced:	ON8C22H28 (1)
Stoich.:	AB8C22D28 (1)
Weight, g/mol:	353.160023
ΔH_f, kcal/mol:	58.12
Dipole, Da:	4.29
IP(EA), eV:	-8.57(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-5-(methylamino)-2-pyrazol-1-ylpyrimidin-4-yl]-N-[[3-(hydroxymethyl)phenyl]methyl]formamide

Drug info:

PubChemData

Smile

CN/C(=C/1\C(=NC=C2N=CC=N2)N(C(=O)N1)CC3=CC=CC(=C3)CN4CCCCC4)/N

DOS

IR

Vibrations