Geometry & MOs

Info

ID:	416971
PubChem CID:	135090934
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	344.129156
ΔH_f, kcal/mol:	6.86
Dipole, Da:	3.05
IP(EA), eV:	-8.64(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(CCN(C)C)CC2=C(NC=N2)C

DOS

IR

Vibrations