Geometry & MOs

Info

ID:	417448
PubChem CID:	135094479
Reduced:	NO5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-164.19
Dipole, Da:	3.82
IP(EA), eV:	-9.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@@H]1O)(CC2CC2)C(=O)O)C(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)O

DOS

IR

Vibrations