Geometry & MOs

Info

ID:	196643
PubChem CID:	78857612
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	406.142324
ΔH_f, kcal/mol:	-65.4
Dipole, Da:	5.28
IP(EA), eV:	-9.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-nitro-2-pyrrolidin-1-ylsulfonylaniline

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCCC3C(=O)NC4CC4

DOS

IR

Vibrations