Geometry & MOs

Info

ID:	431892
PubChem CID:	135172013
Reduced:	F3O3N4C25H33 (1)
Stoich.:	A3B3C4D25E33 (1)
Weight, g/mol:	463.268236
ΔH_f, kcal/mol:	-253.36
Dipole, Da:	8.25
IP(EA), eV:	-9.03(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[[1-(3-methoxypropanoyl)piperidin-4-yl]-(2-methylpropyl)amino]-3-nitrophenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=CN=C(N=C3)C(F)(F)F

DOS

IR

Vibrations