Geometry & MOs

Info

ID:	423910
PubChem CID:	135120716
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	330.119127
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	5.8
IP(EA), eV:	-8.64(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[[4-(trifluoromethoxy)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C)OC

DOS

IR

Vibrations