Geometry & MOs

Info

ID:	419097
PubChem CID:	135107496
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-27.16
Dipole, Da:	3.61
IP(EA), eV:	-8.86(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C=N1)CN2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations