Geometry & MOs

Info

ID:	416176
PubChem CID:	135089185
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-128.01
Dipole, Da:	1.38
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)CN3CC[C@@H]([C@@](C3)(CC4CC4)C(=O)O)O

DOS

IR

Vibrations