Geometry & MOs

Info

ID:	415789
PubChem CID:	135088790
Reduced:	FN3O3C15H20 (1)
Stoich.:	AB3C3D15E20 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-141.77
Dipole, Da:	4.31
IP(EA), eV:	-9.74(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COCCC(=O)N1CCCN(CC1)C(=O)C2=CC(=CN=C2)F

DOS

IR

Vibrations