Geometry & MOs

Info

ID:	196645
PubChem CID:	78857910
Reduced:	SN7H21C24 (1)
Stoich.:	AB7C21D24 (1)
Weight, g/mol:	405.07186
ΔH_f, kcal/mol:	159.99
Dipole, Da:	4.36
IP(EA), eV:	-8.6(-1.08)
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]-2-nitro-4-(trifluoromethylsulfonyl)aniline

Drug info:

PubChemData

Smile

C1CC2=NN=C(N2C1)CCNC3=C4C(=CSC4=NC(=N3)C5=CN=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations