Geometry & MOs

Info

ID:	432087
PubChem CID:	135172219
Reduced:	O2N6C23H32 (1)
Stoich.:	A2B6C23D32 (1)
Weight, g/mol:	419.242021
ΔH_f, kcal/mol:	-11.38
Dipole, Da:	5.62
IP(EA), eV:	-8.61(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NNC(=N3)C#N

DOS

IR

Vibrations