Geometry & MOs

Info

ID:	414938
PubChem CID:	135087918
Reduced:	FON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-27.15
Dipole, Da:	3.28
IP(EA), eV:	-8.56(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(C1)CN2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations