Geometry & MOs

Info

ID:	419599
PubChem CID:	135108533
Reduced:	FNO2C18H26 (1)
Stoich.:	ABC2D18E26 (1)
Weight, g/mol:	348.098918
ΔH_f, kcal/mol:	-144.41
Dipole, Da:	4.91
IP(EA), eV:	-9.34(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyridin-3-yl)-[4-(5-methyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CCCC1CCCO1)C(=O)CCCC2=CC=C(C=C2)F

DOS

IR

Vibrations