Geometry & MOs

Info

ID:	183854
PubChem CID:	77081832
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	328.172168
ΔH_f, kcal/mol:	57.39
Dipole, Da:	6.92
IP(EA), eV:	-8.72(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine

Drug info:

PubChemData

Smile

CN(C)[C@H]1CN(C[C@@H]1O)CC2=C(N=C3N2C=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations