Geometry & MOs

Info

ID:	185740
PubChem CID:	77342659
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	386.162187
ΔH_f, kcal/mol:	223.82
Dipole, Da:	4.81
IP(EA), eV:	-7.25(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-2-[methyl-[2-[4-(2H-tetrazol-5-ylmethyl)anilino]ethyl]amino]ethanol

Drug info:

PubChemData

Smile

C1CCC2C(C1)NNN2.C1=CC2=C(C=C1[N+](=O)[O-])NC=N2

DOS

IR

Vibrations