Geometry & MOs

Info

ID:	422410
PubChem CID:	135117789
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-101.36
Dipole, Da:	3.52
IP(EA), eV:	-9.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1C[C@@]2(CCN(C[C@H]2NC1)C(=O)/C=C/C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations