Geometry & MOs

Info

ID:	314858
PubChem CID:	126623785
Reduced:	PN4O4C15H15 (1)
Stoich.:	AB4C4D15E15 (1)
Weight, g/mol:	169.110279
ΔH_f, kcal/mol:	-131.0
Dipole, Da:	4.99
IP(EA), eV:	-9.15(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CP(=O)(O)O

DOS

IR

Vibrations