Geometry & MOs

Info

ID:	413278
PubChem CID:	135086225
Reduced:	N5O5C6H7 (1)
Stoich.:	A5B5C6D7 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-15.88
Dipole, Da:	9.7
IP(EA), eV:	-9.65(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine

Drug info:

PubChemData

Smile

COC1=NC(=N/C(=C(/N=O)\[N+](=O)[O-])/N1)OC

DOS

IR

Vibrations