Geometry & MOs

Info

ID:	420859
PubChem CID:	135114935
Reduced:	FNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	221.164046
ΔH_f, kcal/mol:	-203.67
Dipole, Da:	4.56
IP(EA), eV:	-9.03(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N,5-trimethyl-2-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)F)CN2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations