Geometry & MOs

Info

ID:	439376
PubChem CID:	135229149
Reduced:	N2O3C24H34 (1)
Stoich.:	A2B3C24D34 (1)
Weight, g/mol:	286.190595
ΔH_f, kcal/mol:	-112.22
Dipole, Da:	2.18
IP(EA), eV:	-8.69(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(2R)-pentan-2-yl]-5-(2-pyridazin-3-ylethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC[C@@H](CCO)NC1=C(C=NC(=C1)CC)CCCCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations