Geometry & MOs

Info

ID:	157808
PubChem CID:	56437374
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	457.14639
ΔH_f, kcal/mol:	-76.58
Dipole, Da:	6.05
IP(EA), eV:	-9.61(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCN(C)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3

DOS

IR

Vibrations