Geometry & MOs

Info

ID:	78177
PubChem CID:	49681768
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-101.89
Dipole, Da:	1.06
IP(EA), eV:	-8.6(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-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)NCC=C

DOS

IR

Vibrations