Geometry & MOs

Info

ID:	419933
PubChem CID:	135109831
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-55.38
Dipole, Da:	2.74
IP(EA), eV:	-8.5(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylpyrazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations