Geometry & MOs

Info

ID:	342479
PubChem CID:	127265634
Reduced:	FSN2O2C17H25 (1)
Stoich.:	ABC2D2E17F25 (1)
Weight, g/mol:	306.174356
ΔH_f, kcal/mol:	-111.71
Dipole, Da:	1.37
IP(EA), eV:	-9.02(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepan-1-yl]acetate

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1CCN(CC1)CC=CC2=CC=C(C=C2)F

DOS

IR

Vibrations