Geometry & MOs

Info

ID:	127779
PubChem CID:	51014783
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	375.184586
ΔH_f, kcal/mol:	-163.04
Dipole, Da:	4.99
IP(EA), eV:	-8.29(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5R,9R)-5-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,10,10-trimethyl-3-oxa-6-azatricyclo[7.1.1.02,7]undec-6-en-4-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O

DOS

IR

Vibrations