Geometry & MOs

Info

ID:	416469
PubChem CID:	135089484
Reduced:	ClN5O7C35H42 (1)
Stoich.:	AB5C7D35E42 (1)
Weight, g/mol:	328.139862
ΔH_f, kcal/mol:	-251.57
Dipole, Da:	10.19
IP(EA), eV:	-9.2(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-(3,4,5-trifluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N(CCNC(=O)COC2=CC=C(C[C@@H](C(=O)NCCCC(=O)N1)NC(=O)C3=CC=C(O3)C4=CC=CC=C4Cl)C=C2)C

DOS

IR

Vibrations