Geometry & MOs

Info

ID:	414586
PubChem CID:	135087545
Reduced:	FON2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-78.21
Dipole, Da:	4.5
IP(EA), eV:	-8.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)F)N3CCC[C@@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations