Geometry & MOs

Info

ID:	53290
PubChem CID:	14710128
Reduced:	BrN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	304.143645
ΔH_f, kcal/mol:	-55.75
Dipole, Da:	3.49
IP(EA), eV:	-9.33(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylphenyl)-8-phenyl-7,8-dihydro-3H-tetrazolo[1,5-b][1,2,4]triazepine

Drug info:

PubChemData

Smile

CC(C)CC1(C(=C(C(=O)N1)OC2=CC=CC=C2)Br)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations