Geometry & MOs

Info

ID:	78222
PubChem CID:	49681824
Reduced:	N4O5C21H26 (1)
Stoich.:	A4B5C21D26 (1)
Weight, g/mol:	417.181919
ΔH_f, kcal/mol:	-96.29
Dipole, Da:	4.8
IP(EA), eV:	-8.49(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2-chlorophenyl)methyl]-N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNC(=O)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations