Geometry & MOs

Info

ID:	137870
PubChem CID:	52275881
Reduced:	N3O4C17H27 (1)
Stoich.:	A3B4C17D27 (1)
Weight, g/mol:	347.208316
ΔH_f, kcal/mol:	-157.75
Dipole, Da:	10.63
IP(EA), eV:	-8.66(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-amino-2-oxoethyl)-butyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium

Drug info:

PubChemData

Smile

CCCCN(CC(=O)N)CC(=O)NCC1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations