Geometry & MOs

Info

ID:	172484
PubChem CID:	75514626
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	302.156518
ΔH_f, kcal/mol:	-63.17
Dipole, Da:	6.69
IP(EA), eV:	-9.47(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(6-pyrrolidin-1-ylpyridin-3-yl)methanamine

Drug info:

PubChemData

Smile

COCC1=CC(=NO1)C(=O)NCC2CN(C3CCN2C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations