Geometry & MOs

Info

ID:	414519
PubChem CID:	135087478
Reduced:	ClO3N4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-86.74
Dipole, Da:	4.42
IP(EA), eV:	-8.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1S,2S,4R)-2-benzyl-2-(pyrrolidine-1-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)CC2=C(C=CC(=C2)Cl)OCC(=O)O

DOS

IR

Vibrations