Geometry & MOs

Info

ID:	59502
PubChem CID:	24875177
Reduced:	O3N6C23H28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-59.59
Dipole, Da:	4.67
IP(EA), eV:	-9.36(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC(=CC1)C2=C(C=CC(=N2)CC(=O)NCCCO)NC(=O)C3=NC=C(N3)C#N)C

DOS

IR

Vibrations