Geometry & MOs

Info

ID:	424377
PubChem CID:	135122462
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	212.084872
ΔH_f, kcal/mol:	-150.25
Dipole, Da:	7.51
IP(EA), eV:	-9.43(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-fluoro-2-methoxybenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)OCCCN2C3=C(C(=N2)CC)C(=O)NCC4(C3)CCOCC4

DOS

IR

Vibrations