Geometry & MOs

Info

ID:	244287
PubChem CID:	99319688
Reduced:	ON4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	48.2
Dipole, Da:	4.92
IP(EA), eV:	-8.23(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C2=CC=CC=C12)CC(=O)N[C@H](C)C3=C(N(N=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations