Geometry & MOs

Info

ID:	289245
PubChem CID:	104341558
Reduced:	OSN4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	265.19026
ΔH_f, kcal/mol:	14.06
Dipole, Da:	4.61
IP(EA), eV:	-8.87(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethoxymethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C1=CSC=C1)NC2=NC(=NC(=C2)NC)COC

DOS

IR

Vibrations