Geometry & MOs

Info

ID:	59095
PubChem CID:	24770892
Reduced:	F3O3N4C23H25 (1)
Stoich.:	A3B3C4D23E25 (1)
Weight, g/mol:	385.155705
ΔH_f, kcal/mol:	-242.73
Dipole, Da:	5.53
IP(EA), eV:	-8.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2-chlorophenoxy)pyridin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(CCC1=C(C=CC(=C1)C(F)(F)F)CNC(=O)NC2=C3C=NN(C3=CC=C2)C)C(=O)O

DOS

IR

Vibrations