Geometry & MOs

Info

ID:	422881
PubChem CID:	135118558
Reduced:	N5O6C32H43 (1)
Stoich.:	A5B6C32D43 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-220.49
Dipole, Da:	7.7
IP(EA), eV:	-9.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)[C@@H](C2=CC=CC=C2)OC)CC3=CC=CC=C3)C)C(C)C

DOS

IR

Vibrations