Geometry & MOs

Info

ID:	426133
PubChem CID:	135141047
Reduced:	O2F3N4C22H35 (1)
Stoich.:	A2B3C4D22E35 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-239.43
Dipole, Da:	4.14
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-phenylmethoxypropyl)oxan-4-yl]methanamine

Drug info:

PubChemData

Smile

CCC(=O)N(CC1(CCOCC1)N(C)CCNCC(C)C)C2=CC=CC(=N2)C(F)(F)F

DOS

IR

Vibrations