Geometry & MOs

Info

ID:	380839
PubChem CID:	134971408
Reduced:	N2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	136.44
Dipole, Da:	2.69
IP(EA), eV:	-8.65(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,7S)-1,5,7-trimethyl-7-(5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazol-2-yl)-3-azabicyclo[3.3.1]nonan-2-one

Drug info:

PubChemData

Smile

C[C@H](C[C@H](C1C=CC=C1N=[N+]=[N-])N(C)C)C2C=CC=C2

DOS

IR

Vibrations