Geometry & MOs

Info

ID:	244310
PubChem CID:	99343580
Reduced:	O3N5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	355.171834
ΔH_f, kcal/mol:	-39.36
Dipole, Da:	3.67
IP(EA), eV:	-8.67(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)C2=CC=CC=N2)C(=O)C3=CC(=CC=C3)N4C(=O)[C@@H]5CC=CC[C@H]5C(=O)N4

DOS

IR

Vibrations