Geometry & MOs

Info

ID:	420466
PubChem CID:	135113287
Reduced:	F2N2O4C17H18 (1)
Stoich.:	A2B2C4D17E18 (1)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	-201.53
Dipole, Da:	4.39
IP(EA), eV:	-9.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-pyrazol-5-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC=CC=C3OC(F)F

DOS

IR

Vibrations