Geometry & MOs

Info

ID:	381850
PubChem CID:	134972700
Reduced:	NO5H21C24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	-127.67
Dipole, Da:	7.08
IP(EA), eV:	-9.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6R,7S,8S)-5-methyl-6-phenyl-3-oxa-4-azatricyclo[6.2.1.02,7]undec-4-ene

Drug info:

PubChemData

Smile

CC1(OC(=O)C2([C@@H](CC(=O)C[C@@H]2C3=CC=C(C=C3)C#N)C4=CC=CC=C4)C(=O)O1)C

DOS

IR

Vibrations