Geometry & MOs

Info

ID:	360189
PubChem CID:	127300832
Reduced:	O3N4C18H32 (1)
Stoich.:	A3B4C18D32 (1)
Weight, g/mol:	360.196154
ΔH_f, kcal/mol:	-145.33
Dipole, Da:	9.25
IP(EA), eV:	-8.63(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N1CCOC(C1)CN2CCN(CC2)C(=O)C3CCC(=O)NC3

DOS

IR

Vibrations