Geometry & MOs

Info

ID:	244288
PubChem CID:	99319702
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-4.87
Dipole, Da:	1.78
IP(EA), eV:	-9.24(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)NC(=O)[C@@H]3CC(=O)N(C3)CC4=CC=CC=N4

DOS

IR

Vibrations