Geometry & MOs

Info

ID:	415196
PubChem CID:	135088187
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-135.0
Dipole, Da:	6.53
IP(EA), eV:	-9.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N,5-trimethyl-2-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)C(=O)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O)C

DOS

IR

Vibrations