Geometry & MOs

Info

ID:	168171
PubChem CID:	74932198
Reduced:	PN2F6C14H19 (1)
Stoich.:	AB2C6D14E19 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-398.47
Dipole, Da:	11.11
IP(EA), eV:	-8.43(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-aminophenyl)-2-propoxypropanoate

Drug info:

PubChemData

Smile

CN(C=CC=CC=[N+](C)C)C1=CC=CC=C1.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations