Geometry & MOs

Info

ID:	243987
PubChem CID:	99309118
Reduced:	BrFON2C19H26 (1)
Stoich.:	ABCD2E19F26 (1)
Weight, g/mol:	414.263091
ΔH_f, kcal/mol:	-89.46
Dipole, Da:	2.6
IP(EA), eV:	-8.51(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-(5-nitro-2-pyrrolidin-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@H]2CCCN(C2)C(=O)C3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations