Geometry & MOs

Info

ID:	281201
PubChem CID:	103911389
Reduced:	ClNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	175.137242
ΔH_f, kcal/mol:	-106.43
Dipole, Da:	3.83
IP(EA), eV:	-8.93(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoropropyl)-2-methyloxan-4-amine

Drug info:

PubChemData

Smile

CC1CC(CCO1)NCC2=CC3=C(C(=C2)Cl)OCO3

DOS

IR

Vibrations