Geometry & MOs

Info

ID:	418559
PubChem CID:	135105769
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	6.94
Dipole, Da:	11.58
IP(EA), eV:	-9.0(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-hydroxyphenyl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@H]1CN2CC3CC3)CC4=CN5C(=C(C=N5)C(=O)O)N=C4

DOS

IR

Vibrations