Geometry & MOs

Info

ID:	421551
PubChem CID:	135116195
Reduced:	FON2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-80.51
Dipole, Da:	7.07
IP(EA), eV:	-8.16(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1H-imidazol-2-ylmethyl-[[2-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NC4=C(C=CC(=C4)F)C(=C3)C)O

DOS

IR

Vibrations