Geometry & MOs

Info

ID:	418018
PubChem CID:	135103321
Reduced:	NO3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-180.52
Dipole, Da:	6.66
IP(EA), eV:	-9.77(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC(=CC(=C3)O)C(=O)OC

DOS

IR

Vibrations