Geometry & MOs

Info

ID:	423244
PubChem CID:	135119164
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	297.104418
ΔH_f, kcal/mol:	-88.86
Dipole, Da:	3.0
IP(EA), eV:	-9.45(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-2-fluorophenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)N2CCC[C@@]3([C@@H]2CCOC3)C4=CCOCC4

DOS

IR

Vibrations