Geometry & MOs

Info

ID:	196582
PubChem CID:	78850605
Reduced:	FO2N3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	336.184921
ΔH_f, kcal/mol:	-103.81
Dipole, Da:	4.86
IP(EA), eV:	-9.23(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]acetate

Drug info:

PubChemData

Smile

CCN(CC(=C)C)C(=O)CN1CCCN(CC1)C(=O)C2=CC(=CC=C2)F

DOS

IR

Vibrations