Geometry & MOs

Info

ID:	371451
PubChem CID:	127346450
Reduced:	FO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-103.3
Dipole, Da:	3.79
IP(EA), eV:	-8.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)F)N=C1CCNC(=O)CC3CCOC3

DOS

IR

Vibrations