Geometry & MOs

Info

ID:	244716
PubChem CID:	99381150
Reduced:	ClO2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	360.223535
ΔH_f, kcal/mol:	36.52
Dipole, Da:	4.99
IP(EA), eV:	-9.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1CC(=O)NCC2=CC=C(C=C2)CN3C=NC4=CC=CC=C43)Cl

DOS

IR

Vibrations