Geometry & MOs

Info

ID:	322373
PubChem CID:	126669942
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	390.182254
ΔH_f, kcal/mol:	-113.57
Dipole, Da:	4.34
IP(EA), eV:	-9.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-[3-[[(3R)-oxolan-3-yl]amino]propyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1C2CC(C1[C@@H]3[C@H]2C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations