Geometry & MOs

Info

ID:	309127
PubChem CID:	126538010
Reduced:	N2O5C28H38 (1)
Stoich.:	A2B5C28D38 (1)
Weight, g/mol:	320.123544
ΔH_f, kcal/mol:	-195.87
Dipole, Da:	10.64
IP(EA), eV:	-8.67(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-acetyloxy-5-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2[C@H]3[C@H](CCC3(C)C)C4=CC(=C(C=C4C2=CC1=O)OC)OCCCCCCN

DOS

IR

Vibrations