Geometry & MOs

Info

ID:	46158
PubChem CID:	10522597
Reduced:	NO5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-182.58
Dipole, Da:	6.66
IP(EA), eV:	-8.76(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6S,7R)-10,10-dimethyl-1-(4-nitrophenyl)-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene

Drug info:

PubChemData

Smile

CC(=O)O[C@H](C1=CC(=CC(=C1)OCC=C)OCC=C)C(=O)NC(C)(C)C

DOS

IR

Vibrations