Geometry & MOs

Info

ID:	416511
PubChem CID:	135089529
Reduced:	F3N6O6C29H41 (1)
Stoich.:	A3B6C6D29E41 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-441.09
Dipole, Da:	3.21
IP(EA), eV:	-9.44(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CCC(F)(F)F)C)CC2=CC=CC=C2

DOS

IR

Vibrations