Geometry & MOs

Info

ID:	415520
PubChem CID:	135088516
Reduced:	O3N5C17H29 (1)
Stoich.:	A3B5C17D29 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-115.88
Dipole, Da:	2.06
IP(EA), eV:	-9.45(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(3-methoxyphenoxy)ethanone

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC(CC1)C(=O)NC(C)C2=NN=CN2CCOC

DOS

IR

Vibrations