Geometry & MOs

Info

ID:	138060
PubChem CID:	52305296
Reduced:	N3O3C25H28 (1)
Stoich.:	A3B3C25D28 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-32.9
Dipole, Da:	5.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.006748
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[4-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations