Geometry & MOs

Info

ID:	297831
PubChem CID:	117633239
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	321.143704
ΔH_f, kcal/mol:	-35.25
Dipole, Da:	2.81
IP(EA), eV:	-9.08(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-2-[(6Z)-5-amino-6-prop-2-enylidene-1,2,4-triazin-1-yl]-3,4-dihydroxy-5-(methoxymethyl)-3-methyloxolane-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CN[C@@H]2CCNC2)C(=O)C

DOS

IR

Vibrations