Geometry & MOs

Info

ID:	422869
PubChem CID:	135118541
Reduced:	ClO2N3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-58.66
Dipole, Da:	8.25
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)NCCN2C=CN=C2CC)Cl

DOS

IR

Vibrations