Geometry & MOs

Info

ID:	421184
PubChem CID:	135115522
Reduced:	NO5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-226.28
Dipole, Da:	3.53
IP(EA), eV:	-8.8(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)C(=O)CC2=CC=C(C=C2)OCC)C(=O)O

DOS

IR

Vibrations