Geometry & MOs

Info

ID:	185354
PubChem CID:	77288694
Reduced:	ON2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	681.258119
ΔH_f, kcal/mol:	-76.19
Dipole, Da:	5.57
IP(EA), eV:	-9.56(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-N-cyclopropyl-9-(3-hydroxybutanoyl)-7-[4-[2-(2,3,6-trifluorophenoxy)propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C2C(C(=O)NC1=O)NCN2C

DOS

IR

Vibrations