Geometry & MOs

Info

ID:	158642
PubChem CID:	56464377
Reduced:	N5O5C19H23 (1)
Stoich.:	A5B5C19D23 (1)
Weight, g/mol:	404.242356
ΔH_f, kcal/mol:	-49.33
Dipole, Da:	6.4
IP(EA), eV:	-10.21(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)propanoylamino]propyl]-N-(pyridin-3-ylmethyl)carbamate

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C(C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations