Geometry & MOs

Info

ID:	78221
PubChem CID:	49681823
Reduced:	N4O5C21H26 (1)
Stoich.:	A4B5C21D26 (1)
Weight, g/mol:	414.19032
ΔH_f, kcal/mol:	-97.98
Dipole, Da:	7.44
IP(EA), eV:	-8.66(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations