Geometry & MOs

Info

ID:	252771
PubChem CID:	103113995
Reduced:	ON5C14H25 (1)
Stoich.:	AB5C14D25 (1)
Weight, g/mol:	277.165108
ΔH_f, kcal/mol:	-39.43
Dipole, Da:	2.87
IP(EA), eV:	-8.62(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-methyl-2-[[6-(methylamino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide

Drug info:

PubChemData

Smile

CCC1=NC(=C(C(=N1)NC(C)C(=O)N(C)CC)C)NC

DOS

IR

Vibrations