Geometry & MOs

Info

ID:	77549
PubChem CID:	49655366
Reduced:	O2F3N3C14H16 (1)
Stoich.:	A2B3C3D14E16 (1)
Weight, g/mol:	423.121051
ΔH_f, kcal/mol:	-226.26
Dipole, Da:	7.1
IP(EA), eV:	-9.84(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-[3-(5-methyltetrazol-1-yl)phenyl]oxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C(=O)NC2=CN=C(C=C2)C(F)(F)F

DOS

IR

Vibrations