Geometry & MOs

Info

ID:	419668
PubChem CID:	135108683
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	-50.14
Dipole, Da:	5.28
IP(EA), eV:	-8.32(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[(4-imidazol-1-ylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C2C(=C(NC2=C(C=C1)C)C)CC(=O)N(CCO)CC3=CN=CN3C

DOS

IR

Vibrations