Geometry & MOs

Info

ID:

83366

PubChem CID:

49857501

Reduced:

N2O5H14C16 (1)

Stoich.:

A2B5C14D16 (1)

Weight, g/mol:

547.321752

ΔHf, kcal/mol:

-92.23

Dipole, Da:

2.93

IP(EA), eV:

 -10.09(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-methoxyphenyl)-3-oxo-3-[[(1R)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pentyl]amino]propyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(CC(=O)O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations