Geometry & MOs

Info

ID:	280130
PubChem CID:	103847086
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	248.138559
ΔH_f, kcal/mol:	-63.61
Dipole, Da:	2.16
IP(EA), eV:	-8.84(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-4-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)N2CC[C@H](C2)O

DOS

IR

Vibrations