Geometry & MOs

Info

ID:	233294
PubChem CID:	89649867
Reduced:	ClN3O6C36H38 (1)
Stoich.:	AB3C6D36E38 (1)
Weight, g/mol:	361.176342
ΔH_f, kcal/mol:	-196.95
Dipole, Da:	5.93
IP(EA), eV:	-8.88(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(3H-imidazo[4,5-c]pyridin-6-yl)ethyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)C2CCCC2)NC3=C(C=NC4=CC(=C(C=C43)OCC5CCCC5)Cl)C(=O)N.C1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations