Geometry & MOs

Info

ID:	248999
PubChem CID:	103086152
Reduced:	BrN5C14H20 (1)
Stoich.:	AB5C14D20 (1)
Weight, g/mol:	295.04326
ΔH_f, kcal/mol:	74.1
Dipole, Da:	5.35
IP(EA), eV:	-9.49(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=NN=N2)C(C)NCC(C)C)Br

DOS

IR

Vibrations