Geometry & MOs

Info

ID:	244653
PubChem CID:	99376249
Reduced:	F2N3O6C18H23 (1)
Stoich.:	A2B3C6D18E23 (1)
Weight, g/mol:	415.155492
ΔH_f, kcal/mol:	-274.28
Dipole, Da:	5.83
IP(EA), eV:	-9.51(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[4-(difluoromethoxy)-5-methoxy-2-nitrobenzoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC(F)F)OC

DOS

IR

Vibrations