Geometry & MOs

Info

ID:	419549
PubChem CID:	135108405
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	-78.76
Dipole, Da:	4.6
IP(EA), eV:	-8.29(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCN2C[C@H]([C@H](C2)O)CC3=CC=NC=C3)OC

DOS

IR

Vibrations