Geometry & MOs

Info

ID:	417054
PubChem CID:	135091232
Reduced:	NSO3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-146.15
Dipole, Da:	1.04
IP(EA), eV:	-9.05(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[2-(4-propan-2-yloxyphenoxy)ethyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CSCC(=O)NCC2(CCOCC2)CO)C

DOS

IR

Vibrations