Geometry & MOs

Info

ID:	208634
PubChem CID:	80557190
Reduced:	FNSO3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	184.193949
ΔH_f, kcal/mol:	-125.12
Dipole, Da:	3.75
IP(EA), eV:	-9.28(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-heptan-2-yl-N-methylazetidin-3-amine

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CSC2=C(C=CC(=C2)C(=O)O)F)C

DOS

IR

Vibrations