Geometry & MOs

Info

ID:	330585
PubChem CID:	127247992
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	-94.82
Dipole, Da:	5.97
IP(EA), eV:	-9.09(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(dimethylamino)methyl]pyridin-2-yl]pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CN(C)CC1=NC(=CC=C1)C2CCCN2C(=O)CC3(CCCCC3)O

DOS

IR

Vibrations