Geometry & MOs

Info

ID:	381069
PubChem CID:	134971700
Reduced:	O3N5C21H33 (1)
Stoich.:	A3B5C21D33 (1)
Weight, g/mol:	485.372976
ΔH_f, kcal/mol:	-51.56
Dipole, Da:	0.59
IP(EA), eV:	-8.83(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[4-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]butanamide

Drug info:

PubChemData

Smile

COCC1CCCC(O1)O[C@H](CN2CCNCC2)[C@H](CC3=CC=CC=C3)N=[N+]=[N-]

DOS

IR

Vibrations