Geometry & MOs

Info

ID:	157684
PubChem CID:	56436464
Reduced:	NO2C10H19 (2)
Stoich.:	AB2C10D19 (2)
Weight, g/mol:	406.165935
ΔH_f, kcal/mol:	-233.6
Dipole, Da:	5.96
IP(EA), eV:	-8.76(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C(C)C)C(=O)N(C)CCCC(=O)OC(C)(C)C

DOS

IR

Vibrations