Geometry & MOs

Info

ID:	324908
PubChem CID:	126678582
Reduced:	N3O5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	336.179755
ΔH_f, kcal/mol:	-202.4
Dipole, Da:	5.1
IP(EA), eV:	-8.6(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-1-[(2S)-3-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)NC(=O)C2=CC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations