Geometry & MOs

Info

ID:	305969
PubChem CID:	124976359
Reduced:	SN3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	371.175753
ΔH_f, kcal/mol:	47.01
Dipole, Da:	5.32
IP(EA), eV:	-8.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine

Drug info:

PubChemData

Smile

CC1=NC(=C2N1C=CS2)[C@H]3CCNC3

DOS

IR

Vibrations