Geometry & MOs

Info

ID:	243993
PubChem CID:	99309131
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	429.299142
ΔH_f, kcal/mol:	-29.08
Dipole, Da:	6.14
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(2R)-3-methyl-1-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@@H]2CCCN(C2)C(=O)CCC3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations