Geometry & MOs

Info

ID:	147934
PubChem CID:	53787594
Reduced:	O2F3N3C23H32 (1)
Stoich.:	A2B3C3D23E32 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-237.11
Dipole, Da:	1.38
IP(EA), eV:	-10.05(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@H]3CC([C@@](C4)(C(F)(F)F)O)N5C=NC=N5)C

DOS

IR

Vibrations