Geometry & MOs

Info

ID:	220384
PubChem CID:	85182294
Reduced:	O4C31H34 (1)
Stoich.:	A4B31C34 (1)
Weight, g/mol:	438.263091
ΔH_f, kcal/mol:	-59.35
Dipole, Da:	3.97
IP(EA), eV:	-9.17(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[4-(5-benzyl-3-methyl-6-oxopiperazin-2-yl)butyl]-3-(4-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

C=CCCC(=O)C(C(C(C=C)OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations