Geometry & MOs

Info

ID:	183907
PubChem CID:	77088911
Reduced:	ClN2O3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	282.205576
ΔH_f, kcal/mol:	-105.66
Dipole, Da:	4.36
IP(EA), eV:	-8.69(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-4-(dimethylamino)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)C(=CO2)CC(=O)N3CCN(CC3)CCCOC

DOS

IR

Vibrations