Geometry & MOs

Info

ID:	205292
PubChem CID:	80081409
Reduced:	OF2N2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	201.172879
ΔH_f, kcal/mol:	-84.67
Dipole, Da:	3.52
IP(EA), eV:	-9.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(pentan-3-ylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)OC2=C(C=C(C=C2F)CC(C)N)F

DOS

IR

Vibrations