Geometry & MOs

Info

ID:	345690
PubChem CID:	127269990
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-69.05
Dipole, Da:	3.85
IP(EA), eV:	-9.13(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

C1CC2C(C1)OCCN2C(=O)CCC3=NN=C(O3)C4=CC5=CC=CC=C5O4

DOS

IR

Vibrations