Geometry & MOs

Info

ID:	51881
PubChem CID:	12014641
Reduced:	BrN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	275.117095
ΔH_f, kcal/mol:	-20.19
Dipole, Da:	6.74
IP(EA), eV:	-9.2(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-phenyltetrazol-5-yl)methyl]-1H-indole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=O)NC(C2Br)C3=CC=C(C=C3)OC

DOS

IR

Vibrations