Geometry & MOs

Info

ID:	418650
PubChem CID:	135106501
Reduced:	ClON4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	337.074868
ΔH_f, kcal/mol:	13.33
Dipole, Da:	2.93
IP(EA), eV:	-9.32(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC=C(C2=N1)Cl)C(=O)N3CCCC4(C3)CCC5=CN=C(N=C45)C

DOS

IR

Vibrations