Geometry & MOs

Info

ID:	415451
PubChem CID:	135088445
Reduced:	FN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	297.104418
ΔH_f, kcal/mol:	-174.55
Dipole, Da:	5.63
IP(EA), eV:	-8.6(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CN2C[C@@H]3COC[C@H](C2)NC3=O)F)OC

DOS

IR

Vibrations