Geometry & MOs

Info

ID:	420409
PubChem CID:	135112976
Reduced:	ClN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	326.185509
ΔH_f, kcal/mol:	-74.44
Dipole, Da:	5.92
IP(EA), eV:	-9.33(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-cyclopropyl-4-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

COCCNC1=NOC(=C1C(=O)NC2CCCCCC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations