Geometry & MOs

Info

ID:	145496
PubChem CID:	53535918
Reduced:	O2S2N3C19H21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	377.213698
ΔH_f, kcal/mol:	-14.43
Dipole, Da:	3.56
IP(EA), eV:	-8.73(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N(C2=NC(=CS2)CSC3=NC(=C(O3)C)C)C(=O)C

DOS

IR

Vibrations