Geometry & MOs

Info

ID:	420736
PubChem CID:	135114741
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	367.161995
ΔH_f, kcal/mol:	-134.38
Dipole, Da:	6.44
IP(EA), eV:	-8.87(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethyl-4-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=O)N3C[C@H]([C@H](C3)OC)CC4=CC(=NO4)C)OCCO2

DOS

IR

Vibrations