Geometry & MOs

Info

ID:	305363
PubChem CID:	124772203
Reduced:	N4O4H16C17 (1)
Stoich.:	A4B4C16D17 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	58.85
Dipole, Da:	10.34
IP(EA), eV:	-9.48(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-nitrophenyl)-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]3C[C@H]4[C@@H]2[C@H]5[C@@H]1[C@@H]3/C(=N/NC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])/[C@H]45

DOS

IR

Vibrations