Geometry & MOs

Info

ID:	245974
PubChem CID:	103032932
Reduced:	ClNO2C16H26 (1)
Stoich.:	ABC2D16E26 (1)
Weight, g/mol:	241.147807
ΔH_f, kcal/mol:	-101.7
Dipole, Da:	2.81
IP(EA), eV:	-8.56(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-5-(3-methoxy-3-methylbutoxy)phenyl]methanamine

Drug info:

PubChemData

Smile

CCNC(C)C1=CC(=C(C=C1)OCCC(C)(C)OC)Cl

DOS

IR

Vibrations