Geometry & MOs

Info

ID:	443151
PubChem CID:	135257848
Reduced:	NOC5H12 (2)
Stoich.:	ABC5D12 (2)
Weight, g/mol:	426.231871
ΔH_f, kcal/mol:	-133.43
Dipole, Da:	3.84
IP(EA), eV:	-9.46(1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-cyclohexylphenyl)methyl-[2-(ethylamino)acetyl]amino]-3-fluorobenzoate

Drug info:

PubChemData

Smile

CCCC[C@@H](CCOC(NCC)O)N

DOS

IR

Vibrations