Geometry & MOs

Info

ID:	189171
PubChem CID:	77824793
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	536.29987
ΔH_f, kcal/mol:	-57.27
Dipole, Da:	2.85
IP(EA), eV:	-9.17(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-acetamido-3-[3-(acetamidomethyl)phenyl]propyl]-4-benzyl-3-oxopiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NCC1=CC=CC(=C1)CC(CC2C(=O)N(CCN2)CC3=CC=CC=C3)N

DOS

IR

Vibrations