Geometry & MOs

Info

ID:	283439
PubChem CID:	103980951
Reduced:	N3O3C14H27 (1)
Stoich.:	A3B3C14D27 (1)
Weight, g/mol:	266.143056
ΔH_f, kcal/mol:	-176.65
Dipole, Da:	2.77
IP(EA), eV:	-9.51(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(azepan-4-ylamino)-4-fluorobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)N)NC1CCCN(CC1)C(=O)OC(C)(C)C

DOS

IR

Vibrations