Geometry & MOs

Info

ID:	193246
PubChem CID:	78363391
Reduced:	SO4N5C19H23 (1)
Stoich.:	AB4C5D19E23 (1)
Weight, g/mol:	430.99153
ΔH_f, kcal/mol:	-13.2
Dipole, Da:	5.8
IP(EA), eV:	-8.81(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC(=O)C(=CC3CNNC3C4=CC(=CC=C4)[N+](=O)[O-])S2

DOS

IR

Vibrations