Geometry & MOs

Info

ID:	420454
PubChem CID:	135113219
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	319.16444
ΔH_f, kcal/mol:	-32.5
Dipole, Da:	3.08
IP(EA), eV:	-8.91(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)CC3=CN=CC=C3)O

DOS

IR

Vibrations