Geometry & MOs

Info

ID:	370621
PubChem CID:	127339771
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	389.279075
ΔH_f, kcal/mol:	-74.29
Dipole, Da:	6.22
IP(EA), eV:	-8.52(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations