Geometry & MOs

Info

ID:	258654
PubChem CID:	103155996
Reduced:	O2F3N5C11H16 (1)
Stoich.:	A2B3C5D11E16 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-191.75
Dipole, Da:	4.55
IP(EA), eV:	-9.73(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-butyl-3-methoxy-N-phenylbutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)N1CCN2C(=NN=C2C(F)(F)F)C1)CN

DOS

IR

Vibrations